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

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2-phenyl-ethanamide hydrochloride Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2-phenyl-acetamide hydrochloride CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(1-imidazolyl)propyl]-2-phenylacetamide hydrochloride IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide hydrochloride Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2-phenyl-acetamide 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)CC4=CC=CC=C4)C.Cl

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CCCN3C=CN=C3)C(=O)CC4=CC=CC=C4)C.Cl

InChI

InChI=1S/C23H24N4OS.ClH/c1-17-9-10-20-22(18(17)2)25-23(29-20)27(13-6-12-26-14-11-24-16-26)21(28)15-19-7-4-3-5-8-19;/h3-5,7-11,14,16H,6,12-13,15H2,1-2H3;1H