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

Systemtic Name: 3-(4-methylphenyl)sulfanyl-N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)propanamide Openeye Name: N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-3-(p-tolylsulfanyl)propanamide CAS Name: 3-[(4-methylphenyl)thio]-N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)propanamide IUPAC Name: 3-(4-methylphenyl)sulfanyl-N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)propanamide Traditional Name: N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-3-(p-tolylthio)propionamide Formula: C20H23N3O3S3 MolecularWeight: 449.60992

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CCSC3=CC=C(C=C3)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CCSC3=CC=C(C=C3)C

InChI

InChI=1S/C20H23N3O3S3/c1-3-11-23-17-9-8-16(29(21,25)26)13-18(17)28-20(23)22-19(24)10-12-27-15-6-4-14(2)5-7-15/h4-9,13H,3,10-12H2,1-2H3,(H2,21,25,26)