4-[(6-methylpyridin-2-yl)methyl]-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-[(6-methylpyridin-2-yl)methyl]-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(6-methyl-2-pyridyl)methyl]-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[(6-methyl-2-pyridinyl)methyl]-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(6-methylpyridin-2-yl)methyl]-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(6-methyl-2-pyridyl)methyl]-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide Formula: C22H30N4S MolecularWeight: 382.5654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NC3=C(C=C(C(=C3)C)C)C

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NC3=C(C=C(C(=C3)C)C)C

InChI

InChI=1S/C22H30N4S/c1-16-13-18(3)21(14-17(16)2)24-22(27)26-10-6-9-25(11-12-26)15-20-8-5-7-19(4)23-20/h5,7-8,13-14H,6,9-12,15H2,1-4H3,(H,24,27)