S-[2-(3-methylbutylcarbamoylamino)-3-phenoxy-propyl] ethanethioate

Systemtic Name: S-[2-(3-methylbutylcarbamoylamino)-3-phenoxy-propyl] ethanethioate Openeye Name: S-[2-(isopentylcarbamoylamino)-3-phenoxy-propyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[(3-methylbutylamino)-oxomethyl]amino]-3-phenoxypropyl] ester IUPAC Name: S-[2-(3-methylbutylcarbamoylamino)-3-phenoxypropyl] ethanethioate Traditional Name: ethanethioic acid S-[2-(isoamylcarbamoylamino)-3-phenoxy-propyl] ester Formula: C17H26N2O3S MolecularWeight: 338.46494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(COC1=CC=CC=C1)CSC(=O)C

Isomeric SMILES

CC(C)CCNC(=O)NC(COC1=CC=CC=C1)CSC(=O)C

InChI

InChI=1S/C17H26N2O3S/c1-13(2)9-10-18-17(21)19-15(12-23-14(3)20)11-22-16-7-5-4-6-8-16/h4-8,13,15H,9-12H2,1-3H3,(H2,18,19,21)