ethyl 4-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[[4-methyl-3-(1-piperidylsulfonyl)phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[4-methyl-3-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-methyl-3-piperidin-1-ylsulfonylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-methyl-3-piperidinosulfonyl-phenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H27N3O4S2/c1-3-29-21(26)17-8-11-18(12-9-17)23-22(30)24-19-10-7-16(2)20(15-19)31(27,28)25-13-5-4-6-14-25/h7-12,15H,3-6,13-14H2,1-2H3,(H2,23,24,30)