ethyl N-[[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]carbamate

Systemtic Name: ethyl N-[[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]carbamate Openeye Name: ethyl N-[[4-methylsulfanyl-2-(p-tolylsulfonylamino)butanoyl]amino]carbamate CAS Name: N-[[2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)-1-oxobutyl]amino]carbamic acid ethyl ester IUPAC Name: ethyl N-[[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]carbamate Traditional Name: N-[[4-(methylthio)-2-(tosylamino)butanoyl]amino]carbamic acid ethyl ester Formula: C15H23N3O5S2 MolecularWeight: 389.49022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NNC(=O)C(CCSC)NS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCOC(=O)NNC(=O)C(CCSC)NS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C15H23N3O5S2/c1-4-23-15(20)17-16-14(19)13(9-10-24-3)18-25(21,22)12-7-5-11(2)6-8-12/h5-8,13,18H,4,9-10H2,1-3H3,(H,16,19)(H,17,20)