(E)-heptyl-[(heptylamino)-propylsulfanyl-methylidene]-(phenylcarbamoyl)azanium

Systemtic Name: (E)-heptyl-[(heptylamino)-propylsulfanyl-methylidene]-(phenylcarbamoyl)azanium Openeye Name: (E)-heptyl-[(heptylamino)-propylsulfanyl-methylene]-(phenylcarbamoyl)ammonium CAS Name: (E)-[anilino(oxo)methyl]-heptyl-[(heptylamino)-(propylthio)methylidene]ammonium IUPAC Name: (E)-heptyl-[(heptylamino)-propylsulfanylmethylidene]-(phenylcarbamoyl)azanium Traditional Name: (E)-heptyl-[(heptylamino)-(propylthio)methylene]-(phenylcarbamoyl)ammonium Formula: C25H44N3OS+ MolecularWeight: 434.70136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=[N+](CCCCCCC)C(=O)NC1=CC=CC=C1)SCCC

Isomeric SMILES

CCCCCCCN/C(=[N+](/CCCCCCC)\C(=O)NC1=CC=CC=C1)/SCCC

InChI

InChI=1S/C25H43N3OS/c1-4-7-9-11-16-20-26-25(30-22-6-3)28(21-17-12-10-8-5-2)24(29)27-23-18-14-13-15-19-23/h13-15,18-19H,4-12,16-17,20-22H2,1-3H3,(H,27,29)/p+1