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

Systemtic Name: S-[[6-aminocarbonyl-2-azanyl-3-(3-phenylpropanoyl)phenyl]methyl] benzenecarbothioate Openeye Name: S-[[2-amino-6-carbamoyl-3-(3-phenylpropanoyl)phenyl]methyl] benzenecarbothioate CAS Name: benzenecarbothioic 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] benzenecarbothioate Traditional Name: thiobenzoic acid S-(2-amino-6-carbamoyl-3-hydrocinnamoyl-benzyl) ester Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)C2=C(C(=C(C=C2)C(=O)N)CSC(=O)C3=CC=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)C2=C(C(=C(C=C2)C(=O)N)CSC(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C24H22N2O3S/c25-22-19(21(27)14-11-16-7-3-1-4-8-16)13-12-18(23(26)28)20(22)15-30-24(29)17-9-5-2-6-10-17/h1-10,12-13H,11,14-15,25H2,(H2,26,28)