2-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylsulfanyl]-1H-benzimidazole-4-carboxamide

Systemtic Name: 2-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylsulfanyl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylsulfanyl]-1H-benzimidazole-4-carboxamide CAS Name: 2-[[4-[(4-methyl-1-piperazinyl)methyl]phenyl]methylthio]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylsulfanyl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-[[4-[(4-methylpiperazino)methyl]benzyl]thio]-1H-benzimidazole-4-carboxamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=C(C=C2)CSC3=NC4=C(C=CC=C4N3)C(=O)N

Isomeric SMILES

CN1CCN(CC1)CC2=CC=C(C=C2)CSC3=NC4=C(C=CC=C4N3)C(=O)N

InChI

InChI=1S/C21H25N5OS/c1-25-9-11-26(12-10-25)13-15-5-7-16(8-6-15)14-28-21-23-18-4-2-3-17(20(22)27)19(18)24-21/h2-8H,9-14H2,1H3,(H2,22,27)(H,23,24)