N-(3-ethylphenyl)-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(3-ethylphenyl)-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-(3-ethylphenyl)-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-(3-ethylphenyl)-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-(3-ethylphenyl)-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-(3-ethylphenyl)-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carbothioamide Formula: C21H28N4S MolecularWeight: 368.53882

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N2CCCN(CC2)CC3=CC=CC(=N3)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2CCCN(CC2)CC3=CC=CC(=N3)C

InChI

InChI=1S/C21H28N4S/c1-3-18-8-5-9-19(15-18)23-21(26)25-12-6-11-24(13-14-25)16-20-10-4-7-17(2)22-20/h4-5,7-10,15H,3,6,11-14,16H2,1-2H3,(H,23,26)