N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2-phenylsulfanyl-ethanamide hydrochloride

Systemtic Name: N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2-phenylsulfanyl-ethanamide hydrochloride Openeye Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2-phenylsulfanyl-acetamide hydrochloride CAS Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(1-imidazolyl)propyl]-2-(phenylthio)acetamide hydrochloride IUPAC Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2-phenylsulfanylacetamide hydrochloride Traditional Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2-(phenylthio)acetamide hydrochloride Formula: C22H22Cl2N4OS2 MolecularWeight: 493.47228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CCCN3C=CN=C3)C(=O)CSC4=CC=CC=C4.Cl

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CCCN3C=CN=C3)C(=O)CSC4=CC=CC=C4.Cl

InChI

InChI=1S/C22H21ClN4OS2.ClH/c1-16-8-9-18(23)21-20(16)25-22(30-21)27(12-5-11-26-13-10-24-15-26)19(28)14-29-17-6-3-2-4-7-17;/h2-4,6-10,13,15H,5,11-12,14H2,1H3;1H