4-(4-methylphenyl)sulfanyl-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)butanamide

Systemtic Name: 4-(4-methylphenyl)sulfanyl-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: N-(3-allyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-4-(p-tolylsulfanyl)butanamide CAS Name: 4-[(4-methylphenyl)thio]-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(4-methylphenyl)sulfanyl-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: N-(3-allyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-4-(p-tolylthio)butyramide Formula: C21H23N3O3S3 MolecularWeight: 461.62062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC=C

InChI

InChI=1S/C21H23N3O3S3/c1-3-12-24-18-11-10-17(30(22,26)27)14-19(18)29-21(24)23-20(25)5-4-13-28-16-8-6-15(2)7-9-16/h3,6-11,14H,1,4-5,12-13H2,2H3,(H2,22,26,27)