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

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(hexanoylamino)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(hexanoylamino)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(hexanoylamino)carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[(caproylamino)thiocarbamoyl]-3-(3,4-dimethoxyphenyl)acrylamide Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4S/c1-4-5-6-7-17(23)20-21-18(26)19-16(22)11-9-13-8-10-14(24-2)15(12-13)25-3/h8-12H,4-7H2,1-3H3,(H,20,23)(H2,19,21,22,26)/b11-9+