3,5-bis(chloranyl)-2-methoxy-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,5-bis(chloranyl)-2-methoxy-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dichloro-2-methoxy-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dichloro-2-methoxy-N-[[4-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dichloro-2-methoxy-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3,5-dichloro-N-[[4-(4-mesylpiperazino)phenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C20H22Cl2N4O4S2 MolecularWeight: 517.44908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C)Cl)Cl

InChI

InChI=1S/C20H22Cl2N4O4S2/c1-30-18-16(11-13(21)12-17(18)22)19(27)24-20(31)23-14-3-5-15(6-4-14)25-7-9-26(10-8-25)32(2,28)29/h3-6,11-12H,7-10H2,1-2H3,(H2,23,24,27,31)