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

Systemtic Name: 4-cyano-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)benzamide hydrochloride Openeye Name: 4-cyano-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)benzamide hydrochloride CAS Name: 4-cyano-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(1-imidazolyl)propyl]benzamide hydrochloride IUPAC Name: 4-cyano-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)benzamide hydrochloride Traditional Name: 4-cyano-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)benzamide hydrochloride Formula: C23H22ClN5OS MolecularWeight: 451.97168

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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)C#N)C.Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5OS.ClH/c1-16-4-9-20-21(17(16)2)26-23(30-20)28(12-3-11-27-13-10-25-15-27)22(29)19-7-5-18(14-24)6-8-19;/h4-10,13,15H,3,11-12H2,1-2H3;1H