S-(2-azanyl-2-oxidanylidene-ethyl) N-(6-cyano-5-oxidanyl-naphthalen-1-yl)-N-propyl-carbamothioate

Systemtic Name: S-(2-azanyl-2-oxidanylidene-ethyl) N-(6-cyano-5-oxidanyl-naphthalen-1-yl)-N-propyl-carbamothioate Openeye Name: S-(2-amino-2-oxo-ethyl) N-(6-cyano-5-hydroxy-1-naphthyl)-N-propyl-carbamothioate CAS Name: N-(6-cyano-5-hydroxy-1-naphthalenyl)-N-propylcarbamothioic acid S-(2-amino-2-oxoethyl) ester IUPAC Name: S-(2-amino-2-oxoethyl) N-(6-cyano-5-hydroxynaphthalen-1-yl)-N-propylcarbamothioate Traditional Name: N-(6-cyano-5-hydroxy-1-naphthyl)-N-propyl-thiocarbamic acid S-(2-amino-2-keto-ethyl) ester Formula: C17H17N3O3S MolecularWeight: 343.40018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=CC2=C1C=CC(=C2O)C#N)C(=O)SCC(=O)N

Isomeric SMILES

CCCN(C1=CC=CC2=C1C=CC(=C2O)C#N)C(=O)SCC(=O)N

InChI

InChI=1S/C17H17N3O3S/c1-2-8-20(17(23)24-10-15(19)21)14-5-3-4-13-12(14)7-6-11(9-18)16(13)22/h3-7,22H,2,8,10H2,1H3,(H2,19,21)