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

Systemtic Name: N-[(4-pentoxyphenyl)carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[(4-pentoxyphenyl)carbamothioyl]-3-phenyl-propanamide CAS Name: N-[(4-pentoxyanilino)-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[(4-pentoxyphenyl)carbamothioyl]-3-phenylpropanamide Traditional Name: N-[(4-amoxyphenyl)thiocarbamoyl]-3-phenyl-propionamide Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O2S/c1-2-3-7-16-25-19-13-11-18(12-14-19)22-21(26)23-20(24)15-10-17-8-5-4-6-9-17/h4-6,8-9,11-14H,2-3,7,10,15-16H2,1H3,(H2,22,23,24,26)