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

Systemtic Name: 3-chloranyl-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-chloro-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 3-chloro-N-[[4-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-chloro-N-[[4-(4-mesylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C19H21ClN4O3S2 MolecularWeight: 452.97804

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN4O3S2/c1-29(26,27)24-11-9-23(10-12-24)17-7-5-16(6-8-17)21-19(28)22-18(25)14-3-2-4-15(20)13-14/h2-8,13H,9-12H2,1H3,(H2,21,22,25,28)