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

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-4-propan-2-ylsulfonyl-benzamide hydrochloride Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-4-isopropylsulfonyl-benzamide hydrochloride CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(1-imidazolyl)propyl]-4-propan-2-ylsulfonylbenzamide hydrochloride IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-4-propan-2-ylsulfonylbenzamide hydrochloride Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-4-isopropylsulfonyl-benzamide hydrochloride Formula: C25H29ClN4O3S2 MolecularWeight: 533.10576

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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)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)C)C.Cl

InChI

InChI=1S/C25H28N4O3S2.ClH/c1-17(2)34(31,32)21-9-7-20(8-10-21)24(30)29(14-5-13-28-15-12-26-16-28)25-27-23-19(4)18(3)6-11-22(23)33-25;/h6-12,15-17H,5,13-14H2,1-4H3;1H