(2S)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

Systemtic Name: (2S)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Openeye Name: (2S)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide CAS Name: (2S)-2-[(1-phenethyl-2-benzimidazolyl)thio]-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide IUPAC Name: (2S)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Traditional Name: (2S)-2-[(1-phenethylbenzimidazol-2-yl)thio]-N-(1,3,5-trimethylpyrazol-4-yl)propionamide Formula: C24H27N5OS MolecularWeight: 433.56908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C(C)SC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4

InChI

InChI=1S/C24H27N5OS/c1-16-22(17(2)28(4)27-16)26-23(30)18(3)31-24-25-20-12-8-9-13-21(20)29(24)15-14-19-10-6-5-7-11-19/h5-13,18H,14-15H2,1-4H3,(H,26,30)/t18-/m0/s1