N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-methylsulfanyl-benzamide hydrochloride

Systemtic Name: N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-methylsulfanyl-benzamide hydrochloride Openeye Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-methylsulfanyl-benzamide hydrochloride CAS Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(1-imidazolyl)propyl]-3-(methylthio)benzamide hydrochloride IUPAC Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-methylsulfanylbenzamide hydrochloride Traditional Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-(methylthio)benzamide hydrochloride Formula: C22H22Cl2N4O2S2 MolecularWeight: 509.47168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)Cl)SC(=N2)N(CCCN3C=CN=C3)C(=O)C4=CC(=CC=C4)SC.Cl

Isomeric SMILES

COC1=C2C(=C(C=C1)Cl)SC(=N2)N(CCCN3C=CN=C3)C(=O)C4=CC(=CC=C4)SC.Cl

InChI

InChI=1S/C22H21ClN4O2S2.ClH/c1-29-18-8-7-17(23)20-19(18)25-22(31-20)27(11-4-10-26-12-9-24-14-26)21(28)15-5-3-6-16(13-15)30-2;/h3,5-9,12-14H,4,10-11H2,1-2H3;1H