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

Systemtic Name: N-pyridin-3-yl-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(3-pyridyl)-4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(3-pyridinyl)-4-(2-thiazolylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-pyridin-3-yl-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(3-pyridyl)-4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide Formula: C15H19N5S2 MolecularWeight: 333.47486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=CN=CC=C2)CC3=NC=CS3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CN=CC=C2)CC3=NC=CS3

InChI

InChI=1S/C15H19N5S2/c21-15(18-13-3-1-4-16-11-13)20-7-2-6-19(8-9-20)12-14-17-5-10-22-14/h1,3-5,10-11H,2,6-9,12H2,(H,18,21)