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

Systemtic Name: (2S)-N-[4-(2-azanyl-1,3-thiazol-4-yl)phenyl]-1-(phenylmethyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[4-(2-aminothiazol-4-yl)phenyl]-1-benzyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-[4-(2-amino-4-thiazolyl)phenyl]-1-(phenylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-1-benzylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-[4-(2-aminothiazol-4-yl)phenyl]-1-benzyl-pyrrolidine-2-carboxamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N

Isomeric SMILES

C1C[C@H](N(C1)CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N

InChI

InChI=1S/C21H22N4OS/c22-21-24-18(14-27-21)16-8-10-17(11-9-16)23-20(26)19-7-4-12-25(19)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,14,19H,4,7,12-13H2,(H2,22,24)(H,23,26)/t19-/m0/s1