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

Systemtic Name: phenethyl 4-oxidanylidene-4-[(3-piperidin-1-ylcarbonylphenyl)carbamothioylamino]butanoate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[[3-(piperidine-1-carbonyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[3-(piperidine-1-carbonyl)phenyl]thiocarbamoylamino]butyric acid phenethyl ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C25H29N3O4S/c29-22(12-13-23(30)32-17-14-19-8-3-1-4-9-19)27-25(33)26-21-11-7-10-20(18-21)24(31)28-15-5-2-6-16-28/h1,3-4,7-11,18H,2,5-6,12-17H2,(H2,26,27,29,33)