N-[[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methyl-phenyl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methyl-phenyl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methyl-phenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylanilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methyl-phenyl]thiocarbamoyl]thiophene-2-carboxamide Formula: C21H21N3O3S3 MolecularWeight: 459.60474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)NC(=S)NC(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)NC(=S)NC(=O)C3=CC=CS3)C

InChI

InChI=1S/C21H21N3O3S3/c1-13-6-9-17(15(3)11-13)24-30(26,27)16-8-7-14(2)18(12-16)22-21(28)23-20(25)19-5-4-10-29-19/h4-12,24H,1-3H3,(H2,22,23,25,28)