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

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[(2-propan-2-yloxyphenyl)carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-[(2-isopropoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[(2-propan-2-yloxyanilino)-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[(2-propan-2-yloxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(2-isopropoxyphenyl)thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4S/c1-17(2)29-20-13-7-6-12-19(20)24-23(30)25-21(26)14-15-22(27)28-16-8-11-18-9-4-3-5-10-18/h3-7,9-10,12-13,17H,8,11,14-16H2,1-2H3,(H2,24,25,26,30)