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

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(4-phenylmethoxyphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-N-[(4-benzyloxyphenyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(4-phenylmethoxyanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(4-phenylmethoxyphenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[(4-benzoxyphenyl)thiocarbamoyl]-3-(3,4-dimethoxyphenyl)acrylamide Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C25H24N2O4S/c1-29-22-14-8-18(16-23(22)30-2)9-15-24(28)27-25(32)26-20-10-12-21(13-11-20)31-17-19-6-4-3-5-7-19/h3-16H,17H2,1-2H3,(H2,26,27,28,32)/b15-9+