2-[(2-azanyl-3-sulfanyl-propyl)amino]-N-(1H-benzimidazol-2-ylmethyl)-3-methyl-pentanamide

Systemtic Name: 2-[(2-azanyl-3-sulfanyl-propyl)amino]-N-(1H-benzimidazol-2-ylmethyl)-3-methyl-pentanamide Openeye Name: 2-[(2-amino-3-sulfanyl-propyl)amino]-N-(1H-benzimidazol-2-ylmethyl)-3-methyl-pentanamide CAS Name: 2-[(2-amino-3-mercaptopropyl)amino]-N-(1H-benzimidazol-2-ylmethyl)-3-methylpentanamide IUPAC Name: 2-[(2-amino-3-sulfanylpropyl)amino]-N-(1H-benzimidazol-2-ylmethyl)-3-methylpentanamide Traditional Name: 2-[(2-amino-3-mercapto-propyl)amino]-N-(1H-benzimidazol-2-ylmethyl)-3-methyl-valeramide Formula: C17H27N5OS MolecularWeight: 349.49418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1=NC2=CC=CC=C2N1)NCC(CS)N

Isomeric SMILES

CCC(C)C(C(=O)NCC1=NC2=CC=CC=C2N1)NCC(CS)N

InChI

InChI=1S/C17H27N5OS/c1-3-11(2)16(19-8-12(18)10-24)17(23)20-9-15-21-13-6-4-5-7-14(13)22-15/h4-7,11-12,16,19,24H,3,8-10,18H2,1-2H3,(H,20,23)(H,21,22)