N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-thiophene-2-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-nitro-thiophene-2-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrothiophene-2-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-nitro-thiophene-2-carboxamide Formula: C20H15N3O3S3 MolecularWeight: 441.5464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(S3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(S3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H15N3O3S3/c24-18(15-9-10-16(27-15)23(25)26)22-20-17(11-5-1-3-7-13(11)28-20)19-21-12-6-2-4-8-14(12)29-19/h2,4,6,8-10H,1,3,5,7H2,(H,22,24)