2-(3-azanylpropylsulfanyl)-3-(3-methylbut-2-enyl)-N-(phenylmethyl)benzimidazol-5-amine

Systemtic Name: 2-(3-azanylpropylsulfanyl)-3-(3-methylbut-2-enyl)-N-(phenylmethyl)benzimidazol-5-amine Openeye Name: 2-(3-aminopropylsulfanyl)-N-benzyl-3-(3-methylbut-2-enyl)benzimidazol-5-amine CAS Name: 2-(3-aminopropylthio)-3-(3-methylbut-2-enyl)-N-(phenylmethyl)-5-benzimidazolamine IUPAC Name: 2-(3-aminopropylsulfanyl)-N-benzyl-3-(3-methylbut-2-enyl)benzimidazol-5-amine Traditional Name: [2-(3-aminopropylthio)-3-(3-methylbut-2-enyl)benzimidazol-5-yl]-benzyl-amine Formula: C22H28N4S MolecularWeight: 380.54952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(C=CC(=C2)NCC3=CC=CC=C3)N=C1SCCCN)C

Isomeric SMILES

CC(=CCN1C2=C(C=CC(=C2)NCC3=CC=CC=C3)N=C1SCCCN)C

InChI

InChI=1S/C22H28N4S/c1-17(2)11-13-26-21-15-19(24-16-18-7-4-3-5-8-18)9-10-20(21)25-22(26)27-14-6-12-23/h3-5,7-11,15,24H,6,12-14,16,23H2,1-2H3