3-phenylpropyl 5-[[4-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[4-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[4-(4-methylpiperidine-1-carbonyl)phenyl]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C28H35N3O4S MolecularWeight: 509.6602

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C28H35N3O4S/c1-21-16-18-31(19-17-21)27(34)23-12-14-24(15-13-23)29-28(36)30-25(32)10-5-11-26(33)35-20-6-9-22-7-3-2-4-8-22/h2-4,7-8,12-15,21H,5-6,9-11,16-20H2,1H3,(H2,29,30,32,36)