N-(2-methylsulfanylphenyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(2-methylsulfanylphenyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(2-methylsulfanylphenyl)-4-(2-pyridylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-[2-(methylthio)phenyl]-4-(2-pyridinylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(2-methylsulfanylphenyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-[2-(methylthio)phenyl]-4-(2-pyridylmethyl)-1,4-diazepane-1-carbothioamide Formula: C19H24N4S2 MolecularWeight: 372.55066

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

CSC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C19H24N4S2/c1-25-18-9-3-2-8-17(18)21-19(24)23-12-6-11-22(13-14-23)15-16-7-4-5-10-20-16/h2-5,7-10H,6,11-15H2,1H3,(H,21,24)