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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=CC=C2Cl

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2Cl

InChI

InChI=1S/C23H27ClN2O2S/c1-2-3-4-5-8-17-28-20-14-12-19(13-15-20)25-23(29)26-22(27)16-11-18-9-6-7-10-21(18)24/h6-7,9-16H,2-5,8,17H2,1H3,(H2,25,26,27,29)/b16-11+