3-phenylpropyl 4-[[3-(butan-2-ylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[3-(butan-2-ylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[[3-(sec-butylcarbamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[3-[(butan-2-ylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[3-(butan-2-ylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-(sec-butylcarbamoyl)phenyl]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O4S/c1-3-18(2)26-24(31)20-12-7-13-21(17-20)27-25(33)28-22(29)14-15-23(30)32-16-8-11-19-9-5-4-6-10-19/h4-7,9-10,12-13,17-18H,3,8,11,14-16H2,1-2H3,(H,26,31)(H2,27,28,29,33)