N-[[3-chloranyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]carbamothioyl]-2-phenoxy-ethanamide

Systemtic Name: N-[[3-chloranyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[[3-chloro-2-[4-(p-tolylsulfonyl)piperazin-1-yl]phenyl]carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[3-chloro-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[[3-chloro-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[3-chloro-2-(4-tosylpiperazino)phenyl]thiocarbamoyl]-2-phenoxy-acetamide Formula: C26H27ClN4O4S2 MolecularWeight: 559.09998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=S)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=S)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C26H27ClN4O4S2/c1-19-10-12-21(13-11-19)37(33,34)31-16-14-30(15-17-31)25-22(27)8-5-9-23(25)28-26(36)29-24(32)18-35-20-6-3-2-4-7-20/h2-13H,14-18H2,1H3,(H2,28,29,32,36)