3-phenylpropyl 5-oxidanylidene-5-[(4-piperidin-1-ylcarbonylphenyl)carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[(4-piperidin-1-ylcarbonylphenyl)carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[4-(piperidine-1-carbonyl)phenyl]carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[[4-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[4-(piperidine-1-carbonyl)phenyl]carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[[4-(piperidine-1-carbonyl)phenyl]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C27H33N3O4S/c31-24(12-7-13-25(32)34-20-8-11-21-9-3-1-4-10-21)29-27(35)28-23-16-14-22(15-17-23)26(33)30-18-5-2-6-19-30/h1,3-4,9-10,14-17H,2,5-8,11-13,18-20H2,(H2,28,29,31,35)