(2R)-2-(1-hexylbenzimidazol-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

Systemtic Name: (2R)-2-(1-hexylbenzimidazol-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Openeye Name: (2R)-2-(1-hexylbenzimidazol-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide CAS Name: (2R)-2-[(1-hexyl-2-benzimidazolyl)thio]-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide IUPAC Name: (2R)-2-(1-hexylbenzimidazol-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Traditional Name: (2R)-2-[(1-hexylbenzimidazol-2-yl)thio]-N-(1,3,5-trimethylpyrazol-4-yl)propionamide Formula: C22H31N5OS MolecularWeight: 413.57944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(N(N=C3C)C)C

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2N=C1S[C@H](C)C(=O)NC3=C(N(N=C3C)C)C

InChI

InChI=1S/C22H31N5OS/c1-6-7-8-11-14-27-19-13-10-9-12-18(19)23-22(27)29-17(4)21(28)24-20-15(2)25-26(5)16(20)3/h9-10,12-13,17H,6-8,11,14H2,1-5H3,(H,24,28)/t17-/m1/s1