(2S,4R)-N-(2-dimethylaminoethyl)-4-(1-methylimidazol-2-yl)sulfanyl-1-(phenylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-N-(2-dimethylaminoethyl)-4-(1-methylimidazol-2-yl)sulfanyl-1-(phenylmethyl)pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-1-benzyl-N-(2-dimethylaminoethyl)-4-(1-methylimidazol-2-yl)sulfanyl-pyrrolidine-2-carboxamide CAS Name: (2S,4R)-N-(2-dimethylaminoethyl)-4-[(1-methyl-2-imidazolyl)thio]-1-(phenylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-1-benzyl-N-(2-dimethylaminoethyl)-4-(1-methylimidazol-2-yl)sulfanylpyrrolidine-2-carboxamide Traditional Name: (2S,4R)-1-benzyl-N-(2-dimethylaminoethyl)-4-[(1-methylimidazol-2-yl)thio]pyrrolidine-2-carboxamide Formula: C20H29N5OS MolecularWeight: 387.54216

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2CC(N(C2)CC3=CC=CC=C3)C(=O)NCCN(C)C

Isomeric SMILES

CN1C=CN=C1S[C@@H]2C[C@H](N(C2)CC3=CC=CC=C3)C(=O)NCCN(C)C

InChI

InChI=1S/C20H29N5OS/c1-23(2)11-9-21-19(26)18-13-17(27-20-22-10-12-24(20)3)15-25(18)14-16-7-5-4-6-8-16/h4-8,10,12,17-18H,9,11,13-15H2,1-3H3,(H,21,26)/t17-,18+/m1/s1