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

Systemtic Name: (E)-N-[(butanoylamino)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[(butanoylamino)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(1-oxobutylhydrazo)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-N-[(butanoylamino)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-(butyramidothiocarbamoyl)-3-(3,4-dimethoxyphenyl)acrylamide Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NNC(=S)NC(=O)C=CC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CCCC(=O)NNC(=S)NC(=O)/C=C/C1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C16H21N3O4S/c1-4-5-15(21)18-19-16(24)17-14(20)9-7-11-6-8-12(22-2)13(10-11)23-3/h6-10H,4-5H2,1-3H3,(H,18,21)(H2,17,19,20,24)/b9-7+