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

Systemtic Name: ethyl 4-oxidanylidene-4-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: ethyl 4-[[3-(isopropylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[3-[oxo-(propan-2-ylamino)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[3-(isopropylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NC(C)C

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NC(C)C

InChI

InChI=1S/C17H23N3O4S/c1-4-24-15(22)9-8-14(21)20-17(25)19-13-7-5-6-12(10-13)16(23)18-11(2)3/h5-7,10-11H,4,8-9H2,1-3H3,(H,18,23)(H2,19,20,21,25)