3-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-1-methyl-1-[(6-methylpyridin-3-yl)methyl]urea hydrochloride

Systemtic Name: 3-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-1-methyl-1-[(6-methylpyridin-3-yl)methyl]urea hydrochloride Openeye Name: 3-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-1-methyl-1-[(6-methyl-3-pyridyl)methyl]urea hydrochloride CAS Name: 3-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-1-methyl-1-[(6-methyl-3-pyridinyl)methyl]urea hydrochloride IUPAC Name: 3-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-1-methyl-1-[(6-methylpyridin-3-yl)methyl]urea hydrochloride Traditional Name: 3-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-1-methyl-1-[(6-methyl-3-pyridyl)methyl]urea hydrochloride Formula: C23H23ClN4O2S MolecularWeight: 454.97232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CN(C)C(=O)NC2=NC3=C(C=CC(=C3S2)C4=CC=CC=C4)OC.Cl

Isomeric SMILES

CC1=NC=C(C=C1)CN(C)C(=O)NC2=NC3=C(C=CC(=C3S2)C4=CC=CC=C4)OC.Cl

InChI

InChI=1S/C23H22N4O2S.ClH/c1-15-9-10-16(13-24-15)14-27(2)23(28)26-22-25-20-19(29-3)12-11-18(21(20)30-22)17-7-5-4-6-8-17;/h4-13H,14H2,1-3H3,(H,25,26,28);1H