(E)-N-[(3-acetamidophenyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-[(3-acetamidophenyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[(3-acetamidophenyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[(3-acetamidoanilino)-sulfanylidenemethyl]-3-(3,4-dimethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[(3-acetamidophenyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[(3-acetamidophenyl)thiocarbamoyl]-3-(3,4-dimethoxyphenyl)acrylamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C=CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)/C=C/C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H21N3O4S/c1-13(24)21-15-5-4-6-16(12-15)22-20(28)23-19(25)10-8-14-7-9-17(26-2)18(11-14)27-3/h4-12H,1-3H3,(H,21,24)(H2,22,23,25,28)/b10-8+