N-[3-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylcarbamothioylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[3-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylcarbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[3-[(3,6-dichlorobenzothiophene-2-carbonyl)carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[3-[[[[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[(3,6-dichloro-1-benzothiophene-2-carbonyl)carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[3-[(3,6-dichlorobenzothiophene-2-carbonyl)thiocarbamoylamino]phenyl]-2-furamide Formula: C21H13Cl2N3O3S2 MolecularWeight: 490.38222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)NC(=O)C4=CC=CO4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)NC(=O)C4=CC=CO4

InChI

InChI=1S/C21H13Cl2N3O3S2/c22-11-6-7-14-16(9-11)31-18(17(14)23)20(28)26-21(30)25-13-4-1-3-12(10-13)24-19(27)15-5-2-8-29-15/h1-10H,(H,24,27)(H2,25,26,28,30)