3-phenylpropyl 5-[[4-[ethanoyl(methyl)amino]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-[ethanoyl(methyl)amino]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[4-[acetyl(methyl)amino]phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[4-[acetyl(methyl)amino]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-[acetyl(methyl)amino]phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[4-[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=C(C=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

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

InChI

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