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

Systemtic Name: N-(2-methylsulfanylphenyl)-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(2-methylsulfanylphenyl)-4-(4-pyridylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-[2-(methylthio)phenyl]-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(2-methylsulfanylphenyl)-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-[2-(methylthio)phenyl]-4-(4-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=NC=C3

Isomeric SMILES

CSC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=CC=NC=C3

InChI

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