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

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-ethylsulfonyl-N-(3-imidazol-1-ylpropyl)benzamide hydrochloride Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-ethylsulfonyl-N-(3-imidazol-1-ylpropyl)benzamide hydrochloride CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-ethylsulfonyl-N-[3-(1-imidazolyl)propyl]benzamide hydrochloride IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-ethylsulfonyl-N-(3-imidazol-1-ylpropyl)benzamide hydrochloride Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-esyl-N-(3-imidazol-1-ylpropyl)benzamide hydrochloride Formula: C24H27ClN4O3S2 MolecularWeight: 519.07918

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)C(=O)N(CCCN2C=CN=C2)C3=NC4=C(S3)C=CC(=C4C)C.Cl

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)C(=O)N(CCCN2C=CN=C2)C3=NC4=C(S3)C=CC(=C4C)C.Cl

InChI

InChI=1S/C24H26N4O3S2.ClH/c1-4-33(30,31)20-9-7-19(8-10-20)23(29)28(14-5-13-27-15-12-25-16-27)24-26-22-18(3)17(2)6-11-21(22)32-24;/h6-12,15-16H,4-5,13-14H2,1-3H3;1H