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

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-propan-2-ylsulfanyl-benzamide hydrochloride Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-isopropylsulfanyl-benzamide hydrochloride CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(1-imidazolyl)propyl]-3-(propan-2-ylthio)benzamide hydrochloride IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-propan-2-ylsulfanylbenzamide hydrochloride Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-(isopropylthio)benzamide hydrochloride Formula: C25H29ClN4OS2 MolecularWeight: 501.10696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4OS2.ClH/c1-17(2)31-21-8-5-7-20(15-21)24(30)29(13-6-12-28-14-11-26-16-28)25-27-23-19(4)18(3)9-10-22(23)32-25;/h5,7-11,14-17H,6,12-13H2,1-4H3;1H