methyl (1Z)-N-[[[ethyl-(4-nitrophenoxy)phosphinothioyl]-phenyl-amino]sulfanylmethylcarbamoyloxy]ethanimidothioate

Systemtic Name: methyl (1Z)-N-[[[ethyl-(4-nitrophenoxy)phosphinothioyl]-phenyl-amino]sulfanylmethylcarbamoyloxy]ethanimidothioate Openeye Name: methyl (1Z)-N-[(N-[ethyl-(4-nitrophenoxy)phosphinothioyl]anilino)sulfanylmethylcarbamoyloxy]ethanimidothioate CAS Name: (1Z)-N-[[[(N-[ethyl-(4-nitrophenoxy)phosphinothioyl]anilino)thio]methylamino]-oxomethoxy]ethanimidothioic acid methyl ester IUPAC Name: methyl (1Z)-N-[(N-[ethyl-(4-nitrophenoxy)phosphinothioyl]anilino)sulfanylmethylcarbamoyloxy]ethanimidothioate Traditional Name: (1Z)-N-[[(N-[ethyl-(4-nitrophenoxy)thiophosphoryl]anilino)thio]methylcarbamoyloxy]thioacetimidic acid methyl ester Formula: C19H23N4O5PS3 MolecularWeight: 514.578481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCP(=S)(N(C1=CC=CC=C1)SCNC(=O)ON=C(C)SC)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCP(=S)(N(C1=CC=CC=C1)SCNC(=O)O/N=C(/C)\SC)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H23N4O5PS3/c1-4-29(30,28-18-12-10-16(11-13-18)22(25)26)23(17-8-6-5-7-9-17)32-14-20-19(24)27-21-15(2)31-3/h5-13H,4,14H2,1-3H3,(H,20,24)/b21-15-