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

Systemtic Name: [3-methoxy-4-(phenylcarbonyloxy)phenyl]methylidene-(prop-2-enylcarbamothioylamino)azanium Openeye Name: (allylcarbamothioylamino)-[(4-benzoyloxy-3-methoxy-phenyl)methylene]ammonium CAS Name: (4-benzoyloxy-3-methoxyphenyl)methylidene-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]ammonium IUPAC Name: (4-benzoyloxy-3-methoxyphenyl)methylidene-(prop-2-enylcarbamothioylamino)azanium Traditional Name: (allylthiocarbamoylamino)-(4-benzoyloxy-3-methoxy-benzylidene)ammonium Formula: C19H20N3O3S+ MolecularWeight: 370.4454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=[NH+]NC(=S)NCC=C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

COC1=C(C=CC(=C1)C=[NH+]NC(=S)NCC=C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H19N3O3S/c1-3-11-20-19(26)22-21-13-14-9-10-16(17(12-14)24-2)25-18(23)15-7-5-4-6-8-15/h3-10,12-13H,1,11H2,2H3,(H2,20,22,26)/p+1