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

Systemtic Name: S-[2-(3-methylbutylcarbamoylamino)-3-phenyl-propyl] ethanethioate Openeye Name: S-[2-(isopentylcarbamoylamino)-3-phenyl-propyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[(3-methylbutylamino)-oxomethyl]amino]-3-phenylpropyl] ester IUPAC Name: S-[2-(3-methylbutylcarbamoylamino)-3-phenylpropyl] ethanethioate Traditional Name: ethanethioic acid S-[2-(isoamylcarbamoylamino)-3-phenyl-propyl] ester Formula: C17H26N2O2S MolecularWeight: 322.46554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(CC1=CC=CC=C1)CSC(=O)C

Isomeric SMILES

CC(C)CCNC(=O)NC(CC1=CC=CC=C1)CSC(=O)C

InChI

InChI=1S/C17H26N2O2S/c1-13(2)9-10-18-17(21)19-16(12-22-14(3)20)11-15-7-5-4-6-8-15/h4-8,13,16H,9-12H2,1-3H3,(H2,18,19,21)