methyl 3-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[4-(4-methylpiperidino)sulfonylphenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C22H25N3O5S2 MolecularWeight: 475.581

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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(=CC=C3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5S2/c1-15-10-12-25(13-11-15)32(28,29)19-8-6-18(7-9-19)23-22(31)24-20(26)16-4-3-5-17(14-16)21(27)30-2/h3-9,14-15H,10-13H2,1-2H3,(H2,23,24,26,31)