5-[[4-[(4-chlorophenyl)-thiophen-2-yl-methyl]piperazin-1-yl]methyl]-2-methyl-1-propyl-benzimidazole

Systemtic Name: 5-[[4-[(4-chlorophenyl)-thiophen-2-yl-methyl]piperazin-1-yl]methyl]-2-methyl-1-propyl-benzimidazole Openeye Name: 5-[[4-[(4-chlorophenyl)-(2-thienyl)methyl]piperazin-1-yl]methyl]-2-methyl-1-propyl-benzimidazole CAS Name: 5-[[4-[(4-chlorophenyl)-thiophen-2-ylmethyl]-1-piperazinyl]methyl]-2-methyl-1-propylbenzimidazole IUPAC Name: 5-[[4-[(4-chlorophenyl)-thiophen-2-ylmethyl]piperazin-1-yl]methyl]-2-methyl-1-propylbenzimidazole Traditional Name: 5-[[4-[(4-chlorophenyl)-(2-thienyl)methyl]piperazino]methyl]-2-methyl-1-propyl-benzimidazole Formula: C27H31ClN4S MolecularWeight: 479.07984

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC2=C1C=CC(=C2)CN3CCN(CC3)C(C4=CC=C(C=C4)Cl)C5=CC=CS5)C

Isomeric SMILES

CCCN1C(=NC2=C1C=CC(=C2)CN3CCN(CC3)C(C4=CC=C(C=C4)Cl)C5=CC=CS5)C

InChI

InChI=1S/C27H31ClN4S/c1-3-12-32-20(2)29-24-18-21(6-11-25(24)32)19-30-13-15-31(16-14-30)27(26-5-4-17-33-26)22-7-9-23(28)10-8-22/h4-11,17-18,27H,3,12-16,19H2,1-2H3