3-phenylpropyl 4-oxidanylidene-4-[(4-propan-2-yloxyphenyl)methylcarbamothioylamino]butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[(4-propan-2-yloxyphenyl)methylcarbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-[(4-isopropoxyphenyl)methylcarbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[(4-propan-2-yloxyphenyl)methylamino]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[(4-propan-2-yloxyphenyl)methylcarbamothioylamino]butanoate Traditional Name: 4-[(4-isopropoxybenzyl)thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CNC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CNC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

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