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

Systemtic Name: methyl 6-[(4-tert-butylphenyl)carbamothioylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[(4-tert-butylphenyl)carbamothioylamino]-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[[(4-tert-butylanilino)-sulfanylidenemethyl]amino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-tert-butylphenyl)carbamothioylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-[(4-tert-butylphenyl)thiocarbamoylamino]-2-(tosylamino)hexanoic acid methyl ester Formula: C25H35N3O4S2 MolecularWeight: 505.6931

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O4S2/c1-18-9-15-21(16-10-18)34(30,31)28-22(23(29)32-5)8-6-7-17-26-24(33)27-20-13-11-19(12-14-20)25(2,3)4/h9-16,22,28H,6-8,17H2,1-5H3,(H2,26,27,33)