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

Systemtic Name: 3-phenylpropyl 4-[[2-(butan-2-ylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[[2-(sec-butylcarbamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[2-[(butan-2-ylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[2-(butan-2-ylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[2-(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=C1NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

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