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

Systemtic Name: 4-(5-propylpyrimidin-2-yl)-N-pyridin-3-yl-1,4-diazepane-1-carbothioamide Openeye Name: 4-(5-propylpyrimidin-2-yl)-N-(3-pyridyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-(5-propyl-2-pyrimidinyl)-N-(3-pyridinyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(5-propylpyrimidin-2-yl)-N-pyridin-3-yl-1,4-diazepane-1-carbothioamide Traditional Name: 4-(5-propylpyrimidin-2-yl)-N-(3-pyridyl)-1,4-diazepane-1-carbothioamide Formula: C18H24N6S MolecularWeight: 356.48836

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(N=C1)N2CCCN(CC2)C(=S)NC3=CN=CC=C3

Isomeric SMILES

CCCC1=CN=C(N=C1)N2CCCN(CC2)C(=S)NC3=CN=CC=C3

InChI

InChI=1S/C18H24N6S/c1-2-5-15-12-20-17(21-13-15)23-8-4-9-24(11-10-23)18(25)22-16-6-3-7-19-14-16/h3,6-7,12-14H,2,4-5,8-11H2,1H3,(H,22,25)