N-[(4-heptoxyphenyl)carbamothioyl]-3-phenyl-propanamide

Systemtic Name: N-[(4-heptoxyphenyl)carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[(4-heptoxyphenyl)carbamothioyl]-3-phenyl-propanamide CAS Name: N-[(4-heptoxyanilino)-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[(4-heptoxyphenyl)carbamothioyl]-3-phenylpropanamide Traditional Name: N-[(4-heptoxyphenyl)thiocarbamoyl]-3-phenyl-propionamide Formula: C23H30N2O2S MolecularWeight: 398.5615

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C23H30N2O2S/c1-2-3-4-5-9-18-27-21-15-13-20(14-16-21)24-23(28)25-22(26)17-12-19-10-7-6-8-11-19/h6-8,10-11,13-16H,2-5,9,12,17-18H2,1H3,(H2,24,25,26,28)