[4-(2,4-dichlorophenyl)carbonyloxy-3-methoxy-phenyl]methylidene-(prop-2-enylcarbamothioylamino)azanium

Systemtic Name: [4-(2,4-dichlorophenyl)carbonyloxy-3-methoxy-phenyl]methylidene-(prop-2-enylcarbamothioylamino)azanium Openeye Name: (allylcarbamothioylamino)-[[4-(2,4-dichlorobenzoyl)oxy-3-methoxy-phenyl]methylene]ammonium CAS Name: [4-[(2,4-dichlorophenyl)-oxomethoxy]-3-methoxyphenyl]methylidene-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]ammonium IUPAC Name: [4-(2,4-dichlorobenzoyl)oxy-3-methoxyphenyl]methylidene-(prop-2-enylcarbamothioylamino)azanium Traditional Name: (allylthiocarbamoylamino)-[4-(2,4-dichlorobenzoyl)oxy-3-methoxy-benzylidene]ammonium Formula: C19H18Cl2N3O3S+ MolecularWeight: 439.33552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17Cl2N3O3S/c1-3-8-22-19(28)24-23-11-12-4-7-16(17(9-12)26-2)27-18(25)14-6-5-13(20)10-15(14)21/h3-7,9-11H,1,8H2,2H3,(H2,22,24,28)/p+1