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

Systemtic Name: phenethyl 4-oxidanylidene-4-[(4-piperidin-1-ylcarbonylphenyl)carbamothioylamino]butanoate Openeye Name: phenethyl 4-oxo-4-[[4-(piperidine-1-carbonyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[[4-(piperidine-1-carbonyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[4-(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=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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