3-phenylpropyl 4-[[2-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[2-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[2-(4-methylpiperidine-1-carbonyl)phenyl]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C27H33N3O4S/c1-20-15-17-30(18-16-20)26(33)22-11-5-6-12-23(22)28-27(35)29-24(31)13-14-25(32)34-19-7-10-21-8-3-2-4-9-21/h2-6,8-9,11-12,20H,7,10,13-19H2,1H3,(H2,28,29,31,35)