[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(4-acetamidophenyl)sulfanylethanoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(4-acetamidophenyl)sulfanylethanoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 2-(4-acetamidophenyl)sulfanylacetate CAS Name: 2-[(4-acetamidophenyl)thio]acetic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate Traditional Name: 2-[(4-acetamidophenyl)thio]acetic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)CSC1=CC=C(C=C1)NC(=O)C

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)CSC1=CC=C(C=C1)NC(=O)C

InChI

InChI=1S/C18H25N3O5S/c1-12(2)8-9-19-18(25)21-16(23)10-26-17(24)11-27-15-6-4-14(5-7-15)20-13(3)22/h4-7,12H,8-11H2,1-3H3,(H,20,22)(H2,19,21,23,25)