(2S)-2-[(4-bromophenyl)methylsulfanyl]-N-(1-propylbenzimidazol-2-yl)propanamide

Systemtic Name: (2S)-2-[(4-bromophenyl)methylsulfanyl]-N-(1-propylbenzimidazol-2-yl)propanamide Openeye Name: (2S)-2-[(4-bromophenyl)methylsulfanyl]-N-(1-propylbenzimidazol-2-yl)propanamide CAS Name: (2S)-2-[(4-bromophenyl)methylthio]-N-(1-propyl-2-benzimidazolyl)propanamide IUPAC Name: (2S)-2-[(4-bromophenyl)methylsulfanyl]-N-(1-propylbenzimidazol-2-yl)propanamide Traditional Name: (2S)-2-[(4-bromobenzyl)thio]-N-(1-propylbenzimidazol-2-yl)propionamide Formula: C20H22BrN3OS MolecularWeight: 432.37718

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1NC(=O)C(C)SCC3=CC=C(C=C3)Br

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1NC(=O)[C@H](C)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H22BrN3OS/c1-3-12-24-18-7-5-4-6-17(18)22-20(24)23-19(25)14(2)26-13-15-8-10-16(21)11-9-15/h4-11,14H,3,12-13H2,1-2H3,(H,22,23,25)/t14-/m0/s1