N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: N-[[4-(4-mesylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C19H22N4O3S2 MolecularWeight: 418.53298

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H22N4O3S2/c1-28(25,26)23-13-11-22(12-14-23)17-9-7-16(8-10-17)20-19(27)21-18(24)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H2,20,21,24,27)