3-phenylpropyl 5-[[3-[ethanoyl(methyl)amino]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[3-[ethanoyl(methyl)amino]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[3-[acetyl(methyl)amino]phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[3-[acetyl(methyl)amino]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[3-[acetyl(methyl)amino]phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[3-[acetyl(methyl)amino]phenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)C1=CC=CC(=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC(=O)N(C)C1=CC=CC(=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C24H29N3O4S/c1-18(28)27(2)21-13-6-12-20(17-21)25-24(32)26-22(29)14-7-15-23(30)31-16-8-11-19-9-4-3-5-10-19/h3-6,9-10,12-13,17H,7-8,11,14-16H2,1-2H3,(H2,25,26,29,32)