2-(4-chlorophenyl)-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]ethanamide

Systemtic Name: 2-(4-chlorophenyl)-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]ethanamide Openeye Name: 2-(4-chlorophenyl)-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]acetamide CAS Name: 2-(4-chlorophenyl)-N-[[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-chlorophenyl)-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]acetamide Traditional Name: 2-(4-chlorophenyl)-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]acetamide Formula: C18H16ClN3O3S2 MolecularWeight: 421.92094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)CC3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)CC3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C18H16ClN3O3S2/c1-24-12-8-13(25-2)16-14(9-12)27-18(21-16)22-17(26)20-15(23)7-10-3-5-11(19)6-4-10/h3-6,8-9H,7H2,1-2H3,(H2,20,21,22,23,26)