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

Systemtic Name: propyl 4-[[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]benzoate Openeye Name: propyl 4-[[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]benzoate Traditional Name: 4-[[4-(2,6-dimethylpiperidino)sulfonylphenyl]thiocarbamoylamino]benzoic acid propyl ester Formula: C24H31N3O4S2 MolecularWeight: 489.65064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O4S2/c1-4-16-31-23(28)19-8-10-20(11-9-19)25-24(32)26-21-12-14-22(15-13-21)33(29,30)27-17(2)6-5-7-18(27)3/h8-15,17-18H,4-7,16H2,1-3H3,(H2,25,26,32)