[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-(2-methylsulfanyl-3-phenyl-imidazol-4-yl)methanone

Systemtic Name: [4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-(2-methylsulfanyl-3-phenyl-imidazol-4-yl)methanone Openeye Name: (2-methylsulfanyl-3-phenyl-imidazol-4-yl)-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-[2-(methylthio)-3-phenyl-4-imidazolyl]methanone IUPAC Name: [4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone Traditional Name: [4-(2-methylbenzyl)-1,4-diazepan-1-yl]-[2-(methylthio)-3-phenyl-imidazol-4-yl]methanone Formula: C24H28N4OS MolecularWeight: 420.57032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=CN=C(N3C4=CC=CC=C4)SC

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=CN=C(N3C4=CC=CC=C4)SC

InChI

InChI=1S/C24H28N4OS/c1-19-9-6-7-10-20(19)18-26-13-8-14-27(16-15-26)23(29)22-17-25-24(30-2)28(22)21-11-4-3-5-12-21/h3-7,9-12,17H,8,13-16,18H2,1-2H3