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(E)-[ethylsulfanyl-(heptylamino)methylidene]-heptyl-[(3-isocyanato-4-methyl-phenyl)carbamoyl]azanium

(E)-[ethylsulfanyl-(heptylamino)methylidene]-heptyl-[(3-isocyanato-4-methyl-phenyl)carbamoyl]azanium

Systemtic Name:(E)-[ethylsulfanyl-(heptylamino)methylidene]-heptyl-[(3-isocyanato-4-methyl-phenyl)carbamoyl]azanium
Openeye Name:(E)-[ethylsulfanyl-(heptylamino)methylene]-heptyl-[(3-isocyanato-4-methyl-phenyl)carbamoyl]ammonium
CAS Name:(E)-[(ethylthio)-(heptylamino)methylidene]-heptyl-[(3-isocyanato-4-methylanilino)-oxomethyl]ammonium
IUPAC Name:(E)-[ethylsulfanyl-(heptylamino)methylidene]-heptyl-[(3-isocyanato-4-methylphenyl)carbamoyl]azanium
Traditional Name:(E)-[(ethylthio)-(heptylamino)methylene]-heptyl-[(3-isocyanato-4-methyl-phenyl)carbamoyl]ammonium
Formula: C26H43N4O2S+
MolecularWeight: 475.71022
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C26H42N4O2S/c1-5-8-10-12-14-18-27-26(33-7-3)30(19-15-13-11-9-6-2)25(32)29-23-17-16-22(4)24(20-23)28-21-31/h16-17,20H,5-15,18-19H2,1-4H3,(H,29,32)/p+1


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