ethyl 4-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[1-(4-chlorophenyl)sulfonyl-4-piperidyl]carbamothioylamino]benzoate CAS Name: 4-[[[[1-(4-chlorophenyl)sulfonyl-4-piperidinyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]carbamothioylamino]benzoate Traditional Name: 4-[[1-(4-chlorophenyl)sulfonyl-4-piperidyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C21H24ClN3O4S2 MolecularWeight: 482.01596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClN3O4S2/c1-2-29-20(26)15-3-7-17(8-4-15)23-21(30)24-18-11-13-25(14-12-18)31(27,28)19-9-5-16(22)6-10-19/h3-10,18H,2,11-14H2,1H3,(H2,23,24,30)