bis(azanyl)methylidene-[4-[(4-methoxyphenyl)carbonylcarbamothioylamino]phenyl]sulfonyl-azanium

Systemtic Name: bis(azanyl)methylidene-[4-[(4-methoxyphenyl)carbonylcarbamothioylamino]phenyl]sulfonyl-azanium Openeye Name: diaminomethylene-[4-[(4-methoxybenzoyl)carbamothioylamino]phenyl]sulfonyl-ammonium CAS Name: diaminomethylidene-[4-[[[[(4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]sulfonylammonium IUPAC Name: diaminomethylidene-[4-[(4-methoxybenzoyl)carbamothioylamino]phenyl]sulfonylazanium Traditional Name: diaminomethylene-[4-(p-anisoylthiocarbamoylamino)phenyl]sulfonyl-ammonium Formula: C16H18N5O4S2+ MolecularWeight: 408.47522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)[NH+]=C(N)N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)[NH+]=C(N)N

InChI

InChI=1S/C16H17N5O4S2/c1-25-12-6-2-10(3-7-12)14(22)20-16(26)19-11-4-8-13(9-5-11)27(23,24)21-15(17)18/h2-9H,1H3,(H4,17,18,21)(H2,19,20,22,26)/p+1