N-[4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylcarbamothioylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylcarbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[4-[(3,6-dichlorobenzothiophene-2-carbonyl)carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[4-[[[[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[4-[(3,6-dichloro-1-benzothiophene-2-carbonyl)carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[4-[(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=COC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

C1=COC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

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