S-[2-(3-methylbutylcarbamoylamino)-4-phenyl-butyl] ethanethioate

Systemtic Name: S-[2-(3-methylbutylcarbamoylamino)-4-phenyl-butyl] ethanethioate Openeye Name: S-[2-(isopentylcarbamoylamino)-4-phenyl-butyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[(3-methylbutylamino)-oxomethyl]amino]-4-phenylbutyl] ester IUPAC Name: S-[2-(3-methylbutylcarbamoylamino)-4-phenylbutyl] ethanethioate Traditional Name: ethanethioic acid S-[2-(isoamylcarbamoylamino)-4-phenyl-butyl] ester Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(CCC1=CC=CC=C1)CSC(=O)C

Isomeric SMILES

CC(C)CCNC(=O)NC(CCC1=CC=CC=C1)CSC(=O)C

InChI

InChI=1S/C18H28N2O2S/c1-14(2)11-12-19-18(22)20-17(13-23-15(3)21)10-9-16-7-5-4-6-8-16/h4-8,14,17H,9-13H2,1-3H3,(H2,19,20,22)