(4-methoxycarbonylphenyl)methylidene-(phenylcarbamothioylamino)azanium

Systemtic Name: (4-methoxycarbonylphenyl)methylidene-(phenylcarbamothioylamino)azanium Openeye Name: (4-methoxycarbonylphenyl)methylene-(phenylcarbamothioylamino)ammonium CAS Name: [[anilino(sulfanylidene)methyl]amino]-[(4-methoxycarbonylphenyl)methylidene]ammonium IUPAC Name: (4-methoxycarbonylphenyl)methylidene-(phenylcarbamothioylamino)azanium Traditional Name: (4-carbomethoxybenzylidene)-(phenylthiocarbamoylamino)ammonium Formula: C16H16N3O2S+ MolecularWeight: 314.38214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=[NH+]NC(=S)NC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C=[NH+]NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C16H15N3O2S/c1-21-15(20)13-9-7-12(8-10-13)11-17-19-16(22)18-14-5-3-2-4-6-14/h2-11H,1H3,(H2,18,19,22)/p+1