3-phenylpropyl 5-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(2-ethyl-6-methylphenyl)carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[(2-ethyl-6-methyl-phenyl)thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C24H30N2O3S MolecularWeight: 426.5716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2)C

InChI

InChI=1S/C24H30N2O3S/c1-3-20-14-7-10-18(2)23(20)26-24(30)25-21(27)15-8-16-22(28)29-17-9-13-19-11-5-4-6-12-19/h4-7,10-12,14H,3,8-9,13,15-17H2,1-2H3,(H2,25,26,27,30)