[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone

Systemtic Name: [4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone Openeye Name: (2-methylsulfanyl-3-pyridyl)-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-[2-(methylthio)-3-pyridinyl]methanone IUPAC Name: [4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone Traditional Name: [4-(4-methylbenzyl)-1,4-diazepan-1-yl]-[2-(methylthio)-3-pyridyl]methanone Formula: C20H25N3OS MolecularWeight: 355.497

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C20H25N3OS/c1-16-6-8-17(9-7-16)15-22-11-4-12-23(14-13-22)20(24)18-5-3-10-21-19(18)25-2/h3,5-10H,4,11-15H2,1-2H3