N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: N-[[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: N-[[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: N-[[4-(4-methylpiperidino)sulfonylphenyl]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C28H31N3O4S2 MolecularWeight: 537.69344

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)OCCC4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)OCCC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O4S2/c1-21-15-18-31(19-16-21)37(33,34)26-13-9-24(10-14-26)29-28(36)30-27(32)23-7-11-25(12-8-23)35-20-17-22-5-3-2-4-6-22/h2-14,21H,15-20H2,1H3,(H2,29,30,32,36)