3-(2-chlorophenyl)-N-[(4-hexoxyphenyl)carbamothioyl]propanamide

Systemtic Name: 3-(2-chlorophenyl)-N-[(4-hexoxyphenyl)carbamothioyl]propanamide Openeye Name: 3-(2-chlorophenyl)-N-[(4-hexoxyphenyl)carbamothioyl]propanamide CAS Name: 3-(2-chlorophenyl)-N-[(4-hexoxyanilino)-sulfanylidenemethyl]propanamide IUPAC Name: 3-(2-chlorophenyl)-N-[(4-hexoxyphenyl)carbamothioyl]propanamide Traditional Name: 3-(2-chlorophenyl)-N-[(4-hexoxyphenyl)thiocarbamoyl]propionamide Formula: C22H27ClN2O2S MolecularWeight: 418.97998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCC2=CC=CC=C2Cl

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCC2=CC=CC=C2Cl

InChI

InChI=1S/C22H27ClN2O2S/c1-2-3-4-7-16-27-19-13-11-18(12-14-19)24-22(28)25-21(26)15-10-17-8-5-6-9-20(17)23/h5-6,8-9,11-14H,2-4,7,10,15-16H2,1H3,(H2,24,25,26,28)