(2S)-N-[4-(2-azanyl-1,3-thiazol-4-yl)phenyl]-1-(cyclohexylmethyl)-5-oxidanylidene-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[4-(2-azanyl-1,3-thiazol-4-yl)phenyl]-1-(cyclohexylmethyl)-5-oxidanylidene-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[4-(2-aminothiazol-4-yl)phenyl]-1-(cyclohexylmethyl)-5-oxo-pyrrolidine-2-carboxamide CAS Name: (2S)-N-[4-(2-amino-4-thiazolyl)phenyl]-1-(cyclohexylmethyl)-5-oxo-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-1-(cyclohexylmethyl)-5-oxopyrrolidine-2-carboxamide Traditional Name: (2S)-N-[4-(2-aminothiazol-4-yl)phenyl]-1-(cyclohexylmethyl)-5-keto-pyrrolidine-2-carboxamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C(CCC2=O)C(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N

Isomeric SMILES

C1CCC(CC1)CN2[C@@H](CCC2=O)C(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N

InChI

InChI=1S/C21H26N4O2S/c22-21-24-17(13-28-21)15-6-8-16(9-7-15)23-20(27)18-10-11-19(26)25(18)12-14-4-2-1-3-5-14/h6-9,13-14,18H,1-5,10-12H2,(H2,22,24)(H,23,27)/t18-/m0/s1