N-(3-methylphenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(3-methylphenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbothioamide Openeye Name: N-(m-tolyl)-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carbothioamide CAS Name: N-(3-methylphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-(3-methylphenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbothioamide Traditional Name: N-(m-tolyl)-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carbothioamide Formula: C19H21F3N4S MolecularWeight: 394.45705

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N2CCCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2CCCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H21F3N4S/c1-14-4-2-5-16(12-14)24-18(27)26-9-3-8-25(10-11-26)17-7-6-15(13-23-17)19(20,21)22/h2,4-7,12-13H,3,8-11H2,1H3,(H,24,27)