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

Systemtic Name: phenethyl 4-oxidanylidene-4-[(4-piperidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate Openeye Name: phenethyl 4-oxo-4-[[4-(1-piperidylsulfonyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[(4-piperidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(4-piperidinosulfonylphenyl)thiocarbamoylamino]butyric acid phenethyl ester Formula: C24H29N3O5S2 MolecularWeight: 503.63416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O5S2/c28-22(13-14-23(29)32-18-15-19-7-3-1-4-8-19)26-24(33)25-20-9-11-21(12-10-20)34(30,31)27-16-5-2-6-17-27/h1,3-4,7-12H,2,5-6,13-18H2,(H2,25,26,28,33)