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

Systemtic Name: butyl 4-[[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 4-[[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]benzoate Traditional Name: 4-[[4-(2,6-dimethylpiperidino)sulfonylphenyl]thiocarbamoylamino]benzoic acid butyl ester Formula: C25H33N3O4S2 MolecularWeight: 503.67722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O4S2/c1-4-5-17-32-24(29)20-9-11-21(12-10-20)26-25(33)27-22-13-15-23(16-14-22)34(30,31)28-18(2)7-6-8-19(28)3/h9-16,18-19H,4-8,17H2,1-3H3,(H2,26,27,33)