(2R)-N-(5-chloranylpyridin-2-yl)-2-(1-hexylbenzimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(5-chloranylpyridin-2-yl)-2-(1-hexylbenzimidazol-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(5-chloro-2-pyridyl)-2-(1-hexylbenzimidazol-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(5-chloro-2-pyridinyl)-2-[(1-hexyl-2-benzimidazolyl)thio]propanamide IUPAC Name: (2R)-N-(5-chloropyridin-2-yl)-2-(1-hexylbenzimidazol-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(5-chloro-2-pyridyl)-2-[(1-hexylbenzimidazol-2-yl)thio]propionamide Formula: C21H25ClN4OS MolecularWeight: 416.9674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2N=C1SC(C)C(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2N=C1S[C@H](C)C(=O)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN4OS/c1-3-4-5-8-13-26-18-10-7-6-9-17(18)24-21(26)28-15(2)20(27)25-19-12-11-16(22)14-23-19/h6-7,9-12,14-15H,3-5,8,13H2,1-2H3,(H,23,25,27)/t15-/m1/s1