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

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(4-heptoxyphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(4-heptoxyphenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(4-heptoxyanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(4-heptoxyphenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(4-heptoxyphenyl)thiocarbamoyl]acrylamide Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C25H32N2O4S/c1-4-5-6-7-8-17-31-21-13-11-20(12-14-21)26-25(32)27-24(28)16-10-19-9-15-22(29-2)23(18-19)30-3/h9-16,18H,4-8,17H2,1-3H3,(H2,26,27,28,32)/b16-10+