N-[(4-acetamidophenyl)carbamothioyl]-3,6-bis(chloranyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(4-acetamidophenyl)carbamothioyl]-3,6-bis(chloranyl)-1-benzothiophene-2-carboxamide Openeye Name: N-[(4-acetamidophenyl)carbamothioyl]-3,6-dichloro-benzothiophene-2-carboxamide CAS Name: N-[(4-acetamidoanilino)-sulfanylidenemethyl]-3,6-dichloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(4-acetamidophenyl)carbamothioyl]-3,6-dichloro-1-benzothiophene-2-carboxamide Traditional Name: N-[(4-acetamidophenyl)thiocarbamoyl]-3,6-dichloro-benzothiophene-2-carboxamide Formula: C18H13Cl2N3O2S2 MolecularWeight: 438.35072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H13Cl2N3O2S2/c1-9(24)21-11-3-5-12(6-4-11)22-18(26)23-17(25)16-15(20)13-7-2-10(19)8-14(13)27-16/h2-8H,1H3,(H,21,24)(H2,22,23,25,26)