3-phenylpropyl 5-oxidanylidene-5-[(2-propan-2-yloxyphenyl)carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[(2-propan-2-yloxyphenyl)carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-[(2-isopropoxyphenyl)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-oxo-5-[[(2-propan-2-yloxyanilino)-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[(2-propan-2-yloxyphenyl)carbamothioylamino]pentanoate Traditional Name: 5-[(2-isopropoxyphenyl)thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)OC1=CC=CC=C1NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C24H30N2O4S/c1-18(2)30-21-14-7-6-13-20(21)25-24(31)26-22(27)15-8-16-23(28)29-17-9-12-19-10-4-3-5-11-19/h3-7,10-11,13-14,18H,8-9,12,15-17H2,1-2H3,(H2,25,26,27,31)