ethanoyl-[2-(ethoxycarbonylcarbamothioylamino)phenyl]-(methylamino)-(phenylmethyl)azanium

Systemtic Name: ethanoyl-[2-(ethoxycarbonylcarbamothioylamino)phenyl]-(methylamino)-(phenylmethyl)azanium Openeye Name: acetyl-benzyl-[2-(ethoxycarbonylcarbamothioylamino)phenyl]-(methylamino)ammonium CAS Name: acetyl-[2-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]phenyl]-(methylamino)-(phenylmethyl)ammonium IUPAC Name: acetyl-benzyl-[2-(ethoxycarbonylcarbamothioylamino)phenyl]-(methylamino)azanium Traditional Name: acetyl-benzyl-[2-(carbethoxythiocarbamoylamino)phenyl]-(methylamino)ammonium Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)NC1=CC=CC=C1[N+](CC2=CC=CC=C2)(C(=O)C)NC

Isomeric SMILES

CCOC(=O)NC(=S)NC1=CC=CC=C1[N+](CC2=CC=CC=C2)(C(=O)C)NC

InChI

InChI=1S/C20H24N4O3S/c1-4-27-20(26)23-19(28)22-17-12-8-9-13-18(17)24(21-3,15(2)25)14-16-10-6-5-7-11-16/h5-13,21H,4,14H2,1-3H3,(H-,22,23,26,28)/p+1