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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCCCCC(C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NCCCCC(C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C25H35N3O4S2/c1-4-5-8-20-12-14-21(15-13-20)27-25(33)26-18-7-6-9-23(24(29)32-3)28-34(30,31)22-16-10-19(2)11-17-22/h10-17,23,28H,4-9,18H2,1-3H3,(H2,26,27,33)