S-[2-(3-methylbutylcarbamoylamino)-2-phenyl-ethyl] ethanethioate

Systemtic Name: S-[2-(3-methylbutylcarbamoylamino)-2-phenyl-ethyl] ethanethioate Openeye Name: S-[2-(isopentylcarbamoylamino)-2-phenyl-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[(3-methylbutylamino)-oxomethyl]amino]-2-phenylethyl] ester IUPAC Name: S-[2-(3-methylbutylcarbamoylamino)-2-phenylethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-(isoamylcarbamoylamino)-2-phenyl-ethyl] ester Formula: C16H24N2O2S MolecularWeight: 308.43896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(CSC(=O)C)C1=CC=CC=C1

Isomeric SMILES

CC(C)CCNC(=O)NC(CSC(=O)C)C1=CC=CC=C1

InChI

InChI=1S/C16H24N2O2S/c1-12(2)9-10-17-16(20)18-15(11-21-13(3)19)14-7-5-4-6-8-14/h4-8,12,15H,9-11H2,1-3H3,(H2,17,18,20)