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

Systemtic Name: methyl 4-[[6-methoxy-5-[(4-methylphenyl)sulfonylamino]-6-oxidanylidene-hexyl]carbamothioylamino]benzoate Openeye Name: methyl 4-[[6-methoxy-6-oxo-5-(p-tolylsulfonylamino)hexyl]carbamothioylamino]benzoate CAS Name: 4-[[[[6-methoxy-5-[(4-methylphenyl)sulfonylamino]-6-oxohexyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-methoxy-5-[(4-methylphenyl)sulfonylamino]-6-oxohexyl]carbamothioylamino]benzoate Traditional Name: 4-[[6-keto-6-methoxy-5-(tosylamino)hexyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C23H29N3O6S2 MolecularWeight: 507.62286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=S)NC2=CC=C(C=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=S)NC2=CC=C(C=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C23H29N3O6S2/c1-16-7-13-19(14-8-16)34(29,30)26-20(22(28)32-3)6-4-5-15-24-23(33)25-18-11-9-17(10-12-18)21(27)31-2/h7-14,20,26H,4-6,15H2,1-3H3,(H2,24,25,33)