ethyl 3-[(4-butoxyphenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[(4-butoxyphenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[(4-butoxybenzoyl)carbamothioyl]amino]propanoate CAS Name: 3-[[[[(4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[(4-butoxybenzoyl)carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[(4-butoxybenzoyl)thiocarbamoyl]amino]propionic acid ethyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)N(CCC(=O)OCC)CC2=CC=CC=C2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)N(CCC(=O)OCC)CC2=CC=CC=C2

InChI

InChI=1S/C24H30N2O4S/c1-3-5-17-30-21-13-11-20(12-14-21)23(28)25-24(31)26(16-15-22(27)29-4-2)18-19-9-7-6-8-10-19/h6-14H,3-5,15-18H2,1-2H3,(H,25,28,31)