N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-4-cyano-N-(3-imidazol-1-ylpropyl)benzamide hydrochloride

Systemtic Name: N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-4-cyano-N-(3-imidazol-1-ylpropyl)benzamide hydrochloride Openeye Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-cyano-N-(3-imidazol-1-ylpropyl)benzamide hydrochloride CAS Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-cyano-N-[3-(1-imidazolyl)propyl]benzamide hydrochloride IUPAC Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-cyano-N-(3-imidazol-1-ylpropyl)benzamide hydrochloride Traditional Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-cyano-N-(3-imidazol-1-ylpropyl)benzamide hydrochloride Formula: C22H19Cl2N5OS MolecularWeight: 472.39016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=C(S2)N(CCCN3C=CN=C3)C(=O)C4=CC=C(C=C4)C#N)Cl.Cl

Isomeric SMILES

CC1=CC(=CC2=C1N=C(S2)N(CCCN3C=CN=C3)C(=O)C4=CC=C(C=C4)C#N)Cl.Cl

InChI

InChI=1S/C22H18ClN5OS.ClH/c1-15-11-18(23)12-19-20(15)26-22(30-19)28(9-2-8-27-10-7-25-14-27)21(29)17-5-3-16(13-24)4-6-17;/h3-7,10-12,14H,2,8-9H2,1H3;1H