methyl 6-[[4-(diethylamino)phenyl]carbamothioylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: methyl 6-[[4-(diethylamino)phenyl]carbamothioylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[[4-(diethylamino)phenyl]carbamothioylamino]-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[[[4-(diethylamino)anilino]-sulfanylidenemethyl]amino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(diethylamino)phenyl]carbamothioylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-[[4-(diethylamino)phenyl]thiocarbamoylamino]-2-(tosylamino)hexanoic acid methyl ester Formula: C25H36N4O4S2 MolecularWeight: 520.70774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N4O4S2/c1-5-29(6-2)21-14-12-20(13-15-21)27-25(34)26-18-8-7-9-23(24(30)33-4)28-35(31,32)22-16-10-19(3)11-17-22/h10-17,23,28H,5-9,18H2,1-4H3,(H2,26,27,34)