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

Systemtic Name: ethyl 2-[(4-dimethylaminophenyl)carbamothioylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: ethyl 2-[(4-dimethylaminophenyl)carbamothioylamino]-6-(p-tolylsulfonylamino)hexanoate CAS Name: 2-[[[4-(dimethylamino)anilino]-sulfanylidenemethyl]amino]-6-[(4-methylphenyl)sulfonylamino]hexanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-dimethylaminophenyl)carbamothioylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 2-[(4-dimethylaminophenyl)thiocarbamoylamino]-6-(tosylamino)hexanoic acid ethyl ester Formula: C24H34N4O4S2 MolecularWeight: 506.68116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCNS(=O)(=O)C1=CC=C(C=C1)C)NC(=S)NC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCOC(=O)C(CCCCNS(=O)(=O)C1=CC=C(C=C1)C)NC(=S)NC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C24H34N4O4S2/c1-5-32-23(29)22(27-24(33)26-19-11-13-20(14-12-19)28(3)4)8-6-7-17-25-34(30,31)21-15-9-18(2)10-16-21/h9-16,22,25H,5-8,17H2,1-4H3,(H2,26,27,33)