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

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[(4-piperidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[[4-(1-piperidylsulfonyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[(4-piperidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(4-piperidinosulfonylphenyl)thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C25H31N3O5S2 MolecularWeight: 517.66074

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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)OCCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O5S2/c29-23(15-16-24(30)33-19-7-10-20-8-3-1-4-9-20)27-25(34)26-21-11-13-22(14-12-21)35(31,32)28-17-5-2-6-18-28/h1,3-4,8-9,11-14H,2,5-7,10,15-19H2,(H2,26,27,29,34)