[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OC(C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C16H22N2O4S/c1-10(2)14(15(20)18-16(17)21)22-13(19)8-9-23-12-6-4-11(3)5-7-12/h4-7,10,14H,8-9H2,1-3H3,(H3,17,18,20,21)