[3-methyl-2-[(4-methylphenyl)methylsulfanyl]benzimidazol-5-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [3-methyl-2-[(4-methylphenyl)methylsulfanyl]benzimidazol-5-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [3-methyl-2-(p-tolylmethylsulfanyl)benzimidazol-5-yl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [3-methyl-2-[(4-methylphenyl)methylthio]-5-benzimidazolyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [3-methyl-2-[(4-methylphenyl)methylsulfanyl]benzimidazol-5-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [3-methyl-2-[(4-methylbenzyl)thio]benzimidazol-5-yl]-(4-phenylpiperazino)methanone Formula: C27H28N4OS MolecularWeight: 456.60242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(N2C)C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(N2C)C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4OS/c1-20-8-10-21(11-9-20)19-33-27-28-24-13-12-22(18-25(24)29(27)2)26(32)31-16-14-30(15-17-31)23-6-4-3-5-7-23/h3-13,18H,14-17,19H2,1-2H3