ethyl 2-[(4-methoxyphenyl)methylcarbamothioylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: ethyl 2-[(4-methoxyphenyl)methylcarbamothioylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: ethyl 2-[(4-methoxyphenyl)methylcarbamothioylamino]-6-(p-tolylsulfonylamino)hexanoate CAS Name: 2-[[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-6-[(4-methylphenyl)sulfonylamino]hexanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-methoxyphenyl)methylcarbamothioylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 2-(p-anisylthiocarbamoylamino)-6-(tosylamino)hexanoic acid ethyl ester Formula: C24H33N3O5S2 MolecularWeight: 507.66592

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)NCC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C(CCCCNS(=O)(=O)C1=CC=C(C=C1)C)NC(=S)NCC2=CC=C(C=C2)OC

InChI

InChI=1S/C24H33N3O5S2/c1-4-32-23(28)22(27-24(33)25-17-19-10-12-20(31-3)13-11-19)7-5-6-16-26-34(29,30)21-14-8-18(2)9-15-21/h8-15,22,26H,4-7,16-17H2,1-3H3,(H2,25,27,33)