S-[3-phenyl-2-(pyrrolidin-1-ylcarbonylamino)propyl] ethanethioate

Systemtic Name: S-[3-phenyl-2-(pyrrolidin-1-ylcarbonylamino)propyl] ethanethioate Openeye Name: S-[3-phenyl-2-(pyrrolidine-1-carbonylamino)propyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[oxo(1-pyrrolidinyl)methyl]amino]-3-phenylpropyl] ester IUPAC Name: S-[3-phenyl-2-(pyrrolidine-1-carbonylamino)propyl] ethanethioate Traditional Name: ethanethioic acid S-[3-phenyl-2-(pyrrolidine-1-carbonylamino)propyl] ester Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)NC(=O)N2CCCC2

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)NC(=O)N2CCCC2

InChI

InChI=1S/C16H22N2O2S/c1-13(19)21-12-15(11-14-7-3-2-4-8-14)17-16(20)18-9-5-6-10-18/h2-4,7-8,15H,5-6,9-12H2,1H3,(H,17,20)