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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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