N-(2-methylsulfanylphenyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(2-methylsulfanylphenyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(2-methylsulfanylphenyl)-4-(3-pyridylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-[2-(methylthio)phenyl]-4-(3-pyridinylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(2-methylsulfanylphenyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-[2-(methylthio)phenyl]-4-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

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