N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-methyl-benzamide hydrochloride

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-methyl-benzamide hydrochloride Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-methyl-benzamide hydrochloride CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(1-imidazolyl)propyl]-3-methylbenzamide hydrochloride IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide hydrochloride Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-methyl-benzamide hydrochloride Formula: C23H25ClN4OS MolecularWeight: 440.9888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CCCN3C=CN=C3)C(=O)C4=CC(=CC=C4)C)C.Cl

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CCCN3C=CN=C3)C(=O)C4=CC(=CC=C4)C)C.Cl

InChI

InChI=1S/C23H24N4OS.ClH/c1-16-6-4-7-19(14-16)22(28)27(12-5-11-26-13-10-24-15-26)23-25-21-18(3)17(2)8-9-20(21)29-23;/h4,6-10,13-15H,5,11-12H2,1-3H3;1H