N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-[(2-methyl-4-thiazolyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide Formula: C19H25ClN4O2S2 MolecularWeight: 441.0104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCCN(CC2)C(=S)NC3=CC(=C(C=C3OC)Cl)OC

Isomeric SMILES

CC1=NC(=CS1)CN2CCCN(CC2)C(=S)NC3=CC(=C(C=C3OC)Cl)OC

InChI

InChI=1S/C19H25ClN4O2S2/c1-13-21-14(12-28-13)11-23-5-4-6-24(8-7-23)19(27)22-16-10-17(25-2)15(20)9-18(16)26-3/h9-10,12H,4-8,11H2,1-3H3,(H,22,27)