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

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[(3-piperidin-1-ylcarbonylphenyl)carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[[3-(piperidine-1-carbonyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[3-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[[3-(piperidine-1-carbonyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[3-(piperidine-1-carbonyl)phenyl]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O4S/c30-23(14-15-24(31)33-18-8-11-20-9-3-1-4-10-20)28-26(34)27-22-13-7-12-21(19-22)25(32)29-16-5-2-6-17-29/h1,3-4,7,9-10,12-13,19H,2,5-6,8,11,14-18H2,(H2,27,28,30,34)