N-[2-(2-phenoxyethylazaniumyl)ethyl]carbamodithioate

Systemtic Name: N-[2-(2-phenoxyethylazaniumyl)ethyl]carbamodithioate Openeye Name: N-[2-(2-phenoxyethylammonio)ethyl]carbamodithioate CAS Name: N-[2-(2-phenoxyethylammonio)ethyl]carbamodithioate IUPAC Name: N-[2-(2-phenoxyethylazaniumyl)ethyl]carbamodithioate Traditional Name: N-[2-(2-phenoxyethylammonio)ethyl]carbamodithioate Formula: C11H16N2OS2 MolecularWeight: 256.38754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC[NH2+]CCNC(=S)[S-]

Isomeric SMILES

C1=CC=C(C=C1)OCC[NH2+]CCNC(=S)[S-]

InChI

InChI=1S/C11H16N2OS2/c15-11(16)13-7-6-12-8-9-14-10-4-2-1-3-5-10/h1-5,12H,6-9H2,(H2,13,15,16)