3-(4-methylphenyl)sulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-(4-methylphenyl)sulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(p-tolylsulfanyl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[(4-methylphenyl)thio]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(4-methylphenyl)sulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(p-tolylthio)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propionamide Formula: C17H17N3O3S3 MolecularWeight: 407.53018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H17N3O3S3/c1-11-2-4-12(5-3-11)24-9-8-16(21)20-17-19-14-7-6-13(26(18,22)23)10-15(14)25-17/h2-7,10H,8-9H2,1H3,(H2,18,22,23)(H,19,20,21)