phenyl-(N'-phenylcarbamimidoyl)azanium; propan-2-yloxymethanedithioate

Systemtic Name: phenyl-(N'-phenylcarbamimidoyl)azanium; propan-2-yloxymethanedithioate Openeye Name: isopropoxymethanedithioate; phenyl-(N'-phenylcarbamimidoyl)ammonium CAS Name: [amino(phenylimino)methyl]-phenylammonium; propan-2-yloxymethanedithioate IUPAC Name: phenyl-(N'-phenylcarbamimidoyl)azanium; propan-2-yloxymethanedithioate Traditional Name: isopropoxymethanedithioate; phenyl-(N'-phenylamidino)ammonium Formula: C17H21N3OS2 MolecularWeight: 347.49814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=S)[S-].C1=CC=C(C=C1)[NH2+]C(=NC2=CC=CC=C2)N

Isomeric SMILES

CC(C)OC(=S)[S-].C1=CC=C(C=C1)[NH2+]C(=NC2=CC=CC=C2)N

InChI

InChI=1S/C13H13N3.C4H8OS2/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;1-3(2)5-4(6)7/h1-10H,(H3,14,15,16);3H,1-2H3,(H,6,7)