N-(3-imidazol-1-ylpropyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanyl-benzamide hydrochloride

Systemtic Name: N-(3-imidazol-1-ylpropyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanyl-benzamide hydrochloride Openeye Name: N-(3-imidazol-1-ylpropyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanyl-benzamide hydrochloride CAS Name: N-[3-(1-imidazolyl)propyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-(methylthio)benzamide hydrochloride IUPAC Name: N-(3-imidazol-1-ylpropyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide hydrochloride Traditional Name: N-(3-imidazol-1-ylpropyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-(methylthio)benzamide hydrochloride Formula: C23H25ClN4O2S2 MolecularWeight: 489.0532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CCCN3C=CN=C3)C(=O)C4=CC(=CC=C4)SC.Cl

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CCCN3C=CN=C3)C(=O)C4=CC(=CC=C4)SC.Cl

InChI

InChI=1S/C23H24N4O2S2.ClH/c1-16-8-9-19(29-2)20-21(16)31-23(25-20)27(12-5-11-26-13-10-24-15-26)22(28)17-6-4-7-18(14-17)30-3;/h4,6-10,13-15H,5,11-12H2,1-3H3;1H