N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[4-[(3,5-dimethylphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]thiocarbamoyl]-3-methyl-butyramide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S2/c1-13(2)9-19(24)22-20(27)21-16-5-7-18(8-6-16)28(25,26)23-17-11-14(3)10-15(4)12-17/h5-8,10-13,23H,9H2,1-4H3,(H2,21,22,24,27)