N-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(2-pyridylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(2-pyridinylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(2-pyridylmethyl)-1,4-diazepane-1-carbothioamide Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=CC3=C(C=C2)OCO3)CC4=CC=CC=N4

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CC3=C(C=C2)OCO3)CC4=CC=CC=N4

InChI

InChI=1S/C19H22N4O2S/c26-19(21-15-5-6-17-18(12-15)25-14-24-17)23-9-3-8-22(10-11-23)13-16-4-1-2-7-20-16/h1-2,4-7,12H,3,8-11,13-14H2,(H,21,26)