N-(1,3-benzothiazol-2-ylcarbamothioyl)-2-(4-chlorophenyl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-2-(4-chlorophenyl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-2-(4-chlorophenyl)sulfanyl-acetamide CAS Name: N-[(1,3-benzothiazol-2-ylamino)-sulfanylidenemethyl]-2-[(4-chlorophenyl)thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-2-(4-chlorophenyl)sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-ylthiocarbamoyl)-2-[(4-chlorophenyl)thio]acetamide Formula: C16H12ClN3OS3 MolecularWeight: 393.93398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=S)NC(=O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=S)NC(=O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H12ClN3OS3/c17-10-5-7-11(8-6-10)23-9-14(21)19-15(22)20-16-18-12-3-1-2-4-13(12)24-16/h1-8H,9H2,(H2,18,19,20,21,22)