ethyl 3-[[6-methoxy-5-[(4-methylphenyl)sulfonylamino]-6-oxidanylidene-hexyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 3-[[6-methoxy-5-[(4-methylphenyl)sulfonylamino]-6-oxidanylidene-hexyl]carbamothioylamino]benzoate Openeye Name: ethyl 3-[[6-methoxy-6-oxo-5-(p-tolylsulfonylamino)hexyl]carbamothioylamino]benzoate CAS Name: 3-[[[[6-methoxy-5-[(4-methylphenyl)sulfonylamino]-6-oxohexyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-methoxy-5-[(4-methylphenyl)sulfonylamino]-6-oxohexyl]carbamothioylamino]benzoate Traditional Name: 3-[[6-keto-6-methoxy-5-(tosylamino)hexyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C24H31N3O6S2 MolecularWeight: 521.64944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCCCCC(C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCCCCC(C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C24H31N3O6S2/c1-4-33-22(28)18-8-7-9-19(16-18)26-24(34)25-15-6-5-10-21(23(29)32-3)27-35(30,31)20-13-11-17(2)12-14-20/h7-9,11-14,16,21,27H,4-6,10,15H2,1-3H3,(H2,25,26,34)