3-phenylpropyl 4-[(3-butoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[(3-butoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[(3-butoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-butoxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(3-butoxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-butoxyphenyl)thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCCCOC1=CC=CC(=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C24H30N2O4S/c1-2-3-16-29-21-13-7-12-20(18-21)25-24(31)26-22(27)14-15-23(28)30-17-8-11-19-9-5-4-6-10-19/h4-7,9-10,12-13,18H,2-3,8,11,14-17H2,1H3,(H2,25,26,27,31)