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

Systemtic Name: methyl 6-[(4-dimethylaminophenyl)carbamothioylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[(4-dimethylaminophenyl)carbamothioylamino]-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[[[4-(dimethylamino)anilino]-sulfanylidenemethyl]amino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-dimethylaminophenyl)carbamothioylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-[(4-dimethylaminophenyl)thiocarbamoylamino]-2-(tosylamino)hexanoic acid methyl ester Formula: C23H32N4O4S2 MolecularWeight: 492.65458

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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)N(C)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O4S2/c1-17-8-14-20(15-9-17)33(29,30)26-21(22(28)31-4)7-5-6-16-24-23(32)25-18-10-12-19(13-11-18)27(2)3/h8-15,21,26H,5-7,16H2,1-4H3,(H2,24,25,32)