4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-pyridin-3-yl-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-pyridin-3-yl-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(2-methylthiazol-4-yl)methyl]-N-(3-pyridyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[(2-methyl-4-thiazolyl)methyl]-N-(3-pyridinyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-pyridin-3-yl-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(2-methylthiazol-4-yl)methyl]-N-(3-pyridyl)-1,4-diazepane-1-carbothioamide Formula: C16H21N5S2 MolecularWeight: 347.50144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCCN(CC2)C(=S)NC3=CN=CC=C3

Isomeric SMILES

CC1=NC(=CS1)CN2CCCN(CC2)C(=S)NC3=CN=CC=C3

InChI

InChI=1S/C16H21N5S2/c1-13-18-15(12-23-13)11-20-6-3-7-21(9-8-20)16(22)19-14-4-2-5-17-10-14/h2,4-5,10,12H,3,6-9,11H2,1H3,(H,19,22)