phenethyl 4-oxidanylidene-4-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: phenethyl 4-[[3-(isopropylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[3-[oxo-(propan-2-ylamino)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[3-(isopropylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CC(C)NC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C23H27N3O4S/c1-16(2)24-22(29)18-9-6-10-19(15-18)25-23(31)26-20(27)11-12-21(28)30-14-13-17-7-4-3-5-8-17/h3-10,15-16H,11-14H2,1-2H3,(H,24,29)(H2,25,26,27,31)