N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]azepane-1-carbothioamide

Systemtic Name: N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]azepane-1-carbothioamide Openeye Name: N-[(E)-1-thiazol-2-ylethylideneamino]azepane-1-carbothioamide CAS Name: N-[(E)-1-(2-thiazolyl)ethylideneamino]-1-azepanecarbothioamide IUPAC Name: N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]azepane-1-carbothioamide Traditional Name: N-[(E)-1-thiazol-2-ylethylideneamino]azepane-1-carbothioamide Formula: C12H18N4S2 MolecularWeight: 282.42812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N1CCCCCC1)C2=NC=CS2

Isomeric SMILES

C/C(=N\NC(=S)N1CCCCCC1)/C2=NC=CS2

InChI

InChI=1S/C12H18N4S2/c1-10(11-13-6-9-18-11)14-15-12(17)16-7-4-2-3-5-8-16/h6,9H,2-5,7-8H2,1H3,(H,15,17)/b14-10+