bis(azanyl)methylidene-[4-[(3,4-dimethoxyphenyl)carbonylcarbamothioylamino]phenyl]sulfonyl-azanium

Systemtic Name: bis(azanyl)methylidene-[4-[(3,4-dimethoxyphenyl)carbonylcarbamothioylamino]phenyl]sulfonyl-azanium Openeye Name: diaminomethylene-[4-[(3,4-dimethoxybenzoyl)carbamothioylamino]phenyl]sulfonyl-ammonium CAS Name: diaminomethylidene-[4-[[[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]sulfonylammonium IUPAC Name: diaminomethylidene-[4-[(3,4-dimethoxybenzoyl)carbamothioylamino]phenyl]sulfonylazanium Traditional Name: diaminomethylene-[4-(veratroylthiocarbamoylamino)phenyl]sulfonyl-ammonium Formula: C17H20N5O5S2+ MolecularWeight: 438.5012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O5S2/c1-26-13-8-3-10(9-14(13)27-2)15(23)21-17(28)20-11-4-6-12(7-5-11)29(24,25)22-16(18)19/h3-9H,1-2H3,(H4,18,19,22)(H2,20,21,23,28)/p+1