5-(3,4-dimethylphenyl)-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3,4-dimethylphenyl)-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[[2-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-[[2-(4-mesylpiperazino)phenyl]thiocarbamoyl]-2-furamide Formula: C25H28N4O4S2 MolecularWeight: 512.64422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=CC=CC=C3N4CCN(CC4)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=CC=CC=C3N4CCN(CC4)S(=O)(=O)C)C

InChI

InChI=1S/C25H28N4O4S2/c1-17-8-9-19(16-18(17)2)22-10-11-23(33-22)24(30)27-25(34)26-20-6-4-5-7-21(20)28-12-14-29(15-13-28)35(3,31)32/h4-11,16H,12-15H2,1-3H3,(H2,26,27,30,34)