[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene-(prop-2-enylcarbamothioylamino)azanium

Systemtic Name: [3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene-(prop-2-enylcarbamothioylamino)azanium Openeye Name: (allylcarbamothioylamino)-[[3-ethoxy-4-(o-tolylmethoxy)phenyl]methylene]ammonium CAS Name: [3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]ammonium IUPAC Name: [3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene-(prop-2-enylcarbamothioylamino)azanium Traditional Name: (allylthiocarbamoylamino)-[3-ethoxy-4-(2-methylbenzyl)oxy-benzylidene]ammonium Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=[NH+]NC(=S)NCC=C)OCC2=CC=CC=C2C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=[NH+]NC(=S)NCC=C)OCC2=CC=CC=C2C

InChI

InChI=1S/C21H25N3O2S/c1-4-12-22-21(27)24-23-14-17-10-11-19(20(13-17)25-5-2)26-15-18-9-7-6-8-16(18)3/h4,6-11,13-14H,1,5,12,15H2,2-3H3,(H2,22,24,27)/p+1