4-azanyl-N-[2-[[4-azanyl-5-(2-oxidanylidenechromen-3-yl)carbonyl-2-phenylazanyl-thiophen-3-yl]carbonylamino]ethyl]-5-(2-oxidanylidenechromen-3-yl)carbonyl-2-phenylazanyl-thiophene-3-carboxamide

Systemtic Name: 4-azanyl-N-[2-[[4-azanyl-5-(2-oxidanylidenechromen-3-yl)carbonyl-2-phenylazanyl-thiophen-3-yl]carbonylamino]ethyl]-5-(2-oxidanylidenechromen-3-yl)carbonyl-2-phenylazanyl-thiophene-3-carboxamide Openeye Name: 4-amino-N-[2-[[4-amino-2-anilino-5-(2-oxochromene-3-carbonyl)thiophene-3-carbonyl]amino]ethyl]-2-anilino-5-(2-oxochromene-3-carbonyl)thiophene-3-carboxamide CAS Name: 4-amino-N-[2-[[[4-amino-2-anilino-5-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]-3-thiophenyl]-oxomethyl]amino]ethyl]-2-anilino-5-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]-3-thiophenecarboxamide IUPAC Name: 4-amino-N-[2-[[4-amino-2-anilino-5-(2-oxochromene-3-carbonyl)thiophene-3-carbonyl]amino]ethyl]-2-anilino-5-(2-oxochromene-3-carbonyl)thiophene-3-carboxamide Traditional Name: 4-amino-N-[2-[[4-amino-2-anilino-5-(2-ketochromene-3-carbonyl)thiophene-3-carbonyl]amino]ethyl]-2-anilino-5-(2-ketochromene-3-carbonyl)thiophene-3-carboxamide Formula: C44H32N6O8S2 MolecularWeight: 836.89028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C3=CC4=CC=CC=C4OC3=O)N)C(=O)NCCNC(=O)C5=C(SC(=C5N)C(=O)C6=CC7=CC=CC=C7OC6=O)NC8=CC=CC=C8

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C3=CC4=CC=CC=C4OC3=O)N)C(=O)NCCNC(=O)C5=C(SC(=C5N)C(=O)C6=CC7=CC=CC=C7OC6=O)NC8=CC=CC=C8

InChI

InChI=1S/C44H32N6O8S2/c45-33-31(41(49-25-13-3-1-4-14-25)59-37(33)35(51)27-21-23-11-7-9-17-29(23)57-43(27)55)39(53)47-19-20-48-40(54)32-34(46)38(60-42(32)50-26-15-5-2-6-16-26)36(52)28-22-24-12-8-10-18-30(24)58-44(28)56/h1-18,21-22,49-50H,19-20,45-46H2,(H,47,53)(H,48,54)