N-[[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-phenyl]carbamothioyl]cyclopentanecarboxamide

Systemtic Name: N-[[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-phenyl]carbamothioyl]cyclopentanecarboxamide Openeye Name: N-[[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-phenyl]carbamothioyl]cyclopentanecarboxamide CAS Name: N-[[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylanilino]-sulfanylidenemethyl]cyclopentanecarboxamide IUPAC Name: N-[[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]carbamothioyl]cyclopentanecarboxamide Traditional Name: N-[[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-phenyl]thiocarbamoyl]cyclopentanecarboxamide Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=S)NC(=O)C3CCCC3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=S)NC(=O)C3CCCC3)C)C

InChI

InChI=1S/C22H27N3O3S2/c1-14-8-11-19(16(3)12-14)25-30(27,28)20-13-18(10-9-15(20)2)23-22(29)24-21(26)17-6-4-5-7-17/h8-13,17,25H,4-7H2,1-3H3,(H2,23,24,26,29)