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

Systemtic Name: 3-phenylpropyl 5-[[3-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[3-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[3-(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(=CC=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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