1-[(phenylmethyl)carbamoyl]pyrrolidine-2-carbothioic S-acid

Systemtic Name: 1-[(phenylmethyl)carbamoyl]pyrrolidine-2-carbothioic S-acid Openeye Name: 1-(benzylcarbamoyl)pyrrolidine-2-carbothioic S-acid CAS Name: 1-[oxo-[(phenylmethyl)amino]methyl]-2-pyrrolidinecarbothioic S-acid IUPAC Name: 1-(benzylcarbamoyl)pyrrolidine-2-carbothioic S-acid Traditional Name: 1-(benzylcarbamoyl)pyrrolidine-2-carbothioic S-acid Formula: C13H16N2O2S MolecularWeight: 264.34334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)NCC2=CC=CC=C2)C(=O)S

Isomeric SMILES

C1CC(N(C1)C(=O)NCC2=CC=CC=C2)C(=O)S

InChI

InChI=1S/C13H16N2O2S/c16-12(18)11-7-4-8-15(11)13(17)14-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,14,17)(H,16,18)