N-[(2R)-3-(cyclohexylmethylsulfanyl)-1-[(4-nitrophenyl)methylamino]-1-oxidanylidene-propan-2-yl]-1,3-thiazolidine-2-carboxamide

Systemtic Name: N-[(2R)-3-(cyclohexylmethylsulfanyl)-1-[(4-nitrophenyl)methylamino]-1-oxidanylidene-propan-2-yl]-1,3-thiazolidine-2-carboxamide Openeye Name: N-[(1R)-1-(cyclohexylmethylsulfanylmethyl)-2-[(4-nitrophenyl)methylamino]-2-oxo-ethyl]thiazolidine-2-carboxamide CAS Name: N-[(2R)-3-(cyclohexylmethylthio)-1-[(4-nitrophenyl)methylamino]-1-oxopropan-2-yl]-2-thiazolidinecarboxamide IUPAC Name: N-[(2R)-3-(cyclohexylmethylsulfanyl)-1-[(4-nitrophenyl)methylamino]-1-oxopropan-2-yl]-1,3-thiazolidine-2-carboxamide Traditional Name: N-[(1R)-1-[(cyclohexylmethylthio)methyl]-2-keto-2-[(4-nitrobenzyl)amino]ethyl]thiazolidine-2-carboxamide Formula: C21H30N4O4S2 MolecularWeight: 466.6173

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CSCC(C(=O)NCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3NCCS3

Isomeric SMILES

C1CCC(CC1)CSC[C@@H](C(=O)NCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3NCCS3

InChI

InChI=1S/C21H30N4O4S2/c26-19(23-12-15-6-8-17(9-7-15)25(28)29)18(24-20(27)21-22-10-11-31-21)14-30-13-16-4-2-1-3-5-16/h6-9,16,18,21-22H,1-5,10-14H2,(H,23,26)(H,24,27)/t18-,21?/m0/s1