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

Systemtic Name: (E)-3-(4-chlorophenyl)-N-[(3-hexoxyphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-chlorophenyl)-N-[(3-hexoxyphenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-chlorophenyl)-N-[(3-hexoxyanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-chlorophenyl)-N-[(3-hexoxyphenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-chlorophenyl)-N-[(3-hexoxyphenyl)thiocarbamoyl]acrylamide Formula: C22H25ClN2O2S MolecularWeight: 416.9641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H25ClN2O2S/c1-2-3-4-5-15-27-20-8-6-7-19(16-20)24-22(28)25-21(26)14-11-17-9-12-18(23)13-10-17/h6-14,16H,2-5,15H2,1H3,(H2,24,25,26,28)/b14-11+