ethyl 3-[[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 3-[[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]benzoate Openeye Name: ethyl 3-[[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]carbamothioylamino]benzoate CAS Name: 3-[[[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]benzoate Traditional Name: 3-[[4-(2,6-dimethylpiperidino)sulfonylphenyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C23H29N3O4S2 MolecularWeight: 475.62406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3C(CCCC3C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3C(CCCC3C)C

InChI

InChI=1S/C23H29N3O4S2/c1-4-30-22(27)18-9-6-10-20(15-18)25-23(31)24-19-11-13-21(14-12-19)32(28,29)26-16(2)7-5-8-17(26)3/h6,9-17H,4-5,7-8H2,1-3H3,(H2,24,25,31)