N-[bis(2-chloroethyl)amino-isothiocyanato-phosphoryl]-4-chloranyl-aniline

Systemtic Name: N-[bis(2-chloroethyl)amino-isothiocyanato-phosphoryl]-4-chloranyl-aniline Openeye Name: N-[bis(2-chloroethyl)amino-isothiocyanato-phosphoryl]-4-chloro-aniline CAS Name: N-[bis(2-chloroethyl)amino-isothiocyanatophosphoryl]-4-chloroaniline IUPAC Name: N-[bis(2-chloroethyl)amino-isothiocyanatophosphoryl]-4-chloroaniline Traditional Name: [(4-chloroanilino)-isothiocyanato-phosphoryl]-bis(2-chloroethyl)amine Formula: C11H13Cl3N3OPS MolecularWeight: 372.638181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NP(=O)(N=C=S)N(CCCl)CCCl)Cl

Isomeric SMILES

C1=CC(=CC=C1NP(=O)(N=C=S)N(CCCl)CCCl)Cl

InChI

InChI=1S/C11H13Cl3N3OPS/c12-5-7-17(8-6-13)19(18,15-9-20)16-11-3-1-10(14)2-4-11/h1-4H,5-8H2,(H,16,18)