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

Systemtic Name: (E)-3-(4-chlorophenyl)-N-[(3-heptoxyphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-chlorophenyl)-N-[(3-heptoxyphenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-chlorophenyl)-N-[(3-heptoxyanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-chlorophenyl)-N-[(3-heptoxyphenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-chlorophenyl)-N-[(3-heptoxyphenyl)thiocarbamoyl]acrylamide Formula: C23H27ClN2O2S MolecularWeight: 430.99068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN2O2S/c1-2-3-4-5-6-16-28-21-9-7-8-20(17-21)25-23(29)26-22(27)15-12-18-10-13-19(24)14-11-18/h7-15,17H,2-6,16H2,1H3,(H2,25,26,27,29)/b15-12+