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

Systemtic Name: 3-(4-chlorophenyl)-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]prop-2-enamide Openeye Name: 3-(4-chlorophenyl)-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]prop-2-enamide CAS Name: 3-(4-chlorophenyl)-N-[[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-(4-chlorophenyl)-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]prop-2-enamide Traditional Name: 3-(4-chlorophenyl)-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]acrylamide Formula: C19H16ClN3O3S2 MolecularWeight: 433.93164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN3O3S2/c1-25-13-9-14(26-2)17-15(10-13)28-19(22-17)23-18(27)21-16(24)8-5-11-3-6-12(20)7-4-11/h3-10H,1-2H3,(H2,21,22,23,24,27)