(E)-[ethylsulfanyl-(heptylamino)methylidene]-heptyl-[(4-methylsulfanylphenyl)carbamoyl]azanium

Systemtic Name: (E)-[ethylsulfanyl-(heptylamino)methylidene]-heptyl-[(4-methylsulfanylphenyl)carbamoyl]azanium Openeye Name: (E)-[ethylsulfanyl-(heptylamino)methylene]-heptyl-[(4-methylsulfanylphenyl)carbamoyl]ammonium CAS Name: (E)-[(ethylthio)-(heptylamino)methylidene]-heptyl-[[4-(methylthio)anilino]-oxomethyl]ammonium IUPAC Name: (E)-[ethylsulfanyl-(heptylamino)methylidene]-heptyl-[(4-methylsulfanylphenyl)carbamoyl]azanium Traditional Name: (E)-[(ethylthio)-(heptylamino)methylene]-heptyl-[[4-(methylthio)phenyl]carbamoyl]ammonium Formula: C25H44N3OS2+ MolecularWeight: 466.76636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H43N3OS2/c1-5-8-10-12-14-20-26-25(31-7-3)28(21-15-13-11-9-6-2)24(29)27-22-16-18-23(30-4)19-17-22/h16-19H,5-15,20-21H2,1-4H3,(H,27,29)/p+1