4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-N-(4-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-N-(4-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[2,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-yl]-N-(4-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-N-[4-(methylthio)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-N-(4-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[2,6-dimethyl-5-(4-methylbenzyl)pyrimidin-4-yl]-N-[4-(methylthio)phenyl]-1,4-diazepane-1-carboxamide Formula: C27H33N5OS MolecularWeight: 475.64882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)C(=O)NC4=CC=C(C=C4)SC)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)C(=O)NC4=CC=C(C=C4)SC)C)C

InChI

InChI=1S/C27H33N5OS/c1-19-6-8-22(9-7-19)18-25-20(2)28-21(3)29-26(25)31-14-5-15-32(17-16-31)27(33)30-23-10-12-24(34-4)13-11-23/h6-13H,5,14-18H2,1-4H3,(H,30,33)