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

Systemtic Name: N-pyridin-3-yl-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(3-pyridyl)-4-(2-pyridylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(3-pyridinyl)-4-(2-pyridinylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-pyridin-3-yl-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(3-pyridyl)-4-(2-pyridylmethyl)-1,4-diazepane-1-carbothioamide Formula: C17H21N5S MolecularWeight: 327.44714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=CN=CC=C2)CC3=CC=CC=N3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CN=CC=C2)CC3=CC=CC=N3

InChI

InChI=1S/C17H21N5S/c23-17(20-15-6-3-7-18-13-15)22-10-4-9-21(11-12-22)14-16-5-1-2-8-19-16/h1-3,5-8,13H,4,9-12,14H2,(H,20,23)