S-[[6-aminocarbonyl-2-azanyl-3-(3-phenylpropanoyl)phenyl]methyl] ethanethioate

Systemtic Name: S-[[6-aminocarbonyl-2-azanyl-3-(3-phenylpropanoyl)phenyl]methyl] ethanethioate Openeye Name: S-[[2-amino-6-carbamoyl-3-(3-phenylpropanoyl)phenyl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[2-amino-6-carbamoyl-3-(1-oxo-3-phenylpropyl)phenyl]methyl] ester IUPAC Name: S-[[2-amino-6-carbamoyl-3-(3-phenylpropanoyl)phenyl]methyl] ethanethioate Traditional Name: ethanethioic acid S-(2-amino-6-carbamoyl-3-hydrocinnamoyl-benzyl) ester Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=C(C=CC(=C1N)C(=O)CCC2=CC=CC=C2)C(=O)N

Isomeric SMILES

CC(=O)SCC1=C(C=CC(=C1N)C(=O)CCC2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C19H20N2O3S/c1-12(22)25-11-16-14(19(21)24)8-9-15(18(16)20)17(23)10-7-13-5-3-2-4-6-13/h2-6,8-9H,7,10-11,20H2,1H3,(H2,21,24)