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

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-4-methylsulfonyl-benzamide hydrochloride Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-4-methylsulfonyl-benzamide hydrochloride CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(1-imidazolyl)propyl]-4-methylsulfonylbenzamide hydrochloride IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-4-methylsulfonylbenzamide hydrochloride Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-4-mesyl-benzamide hydrochloride Formula: C23H25ClN4O3S2 MolecularWeight: 505.0526

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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=C(C=C4)S(=O)(=O)C)C.Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O3S2.ClH/c1-16-5-10-20-21(17(16)2)25-23(31-20)27(13-4-12-26-14-11-24-15-26)22(28)18-6-8-19(9-7-18)32(3,29)30;/h5-11,14-15H,4,12-13H2,1-3H3;1H