1-carbamothioyl-3-(2-methylisoquinolin-2-ium-4-yl)thiourea chloride

Systemtic Name: 1-carbamothioyl-3-(2-methylisoquinolin-2-ium-4-yl)thiourea chloride Openeye Name: 1-carbamothioyl-3-(2-methylisoquinolin-2-ium-4-yl)thiourea chloride CAS Name: 1-carbamothioyl-3-(2-methyl-4-isoquinolin-2-iumyl)thiourea chloride IUPAC Name: 1-carbamothioyl-3-(2-methylisoquinolin-2-ium-4-yl)thiourea chloride Traditional Name: 1-(2-methylisoquinolin-2-ium-4-yl)-3-thiocarbamoyl-thiourea chloride Formula: C12H13ClN4S2 MolecularWeight: 312.84142

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=CC=CC=C2C(=C1)NC(=S)NC(=S)N.[Cl-]

Isomeric SMILES

C[N+]1=CC2=CC=CC=C2C(=C1)NC(=S)NC(=S)N.[Cl-]

InChI

InChI=1S/C12H12N4S2.ClH/c1-16-6-8-4-2-3-5-9(8)10(7-16)14-12(18)15-11(13)17;/h2-7H,1H3,(H3-,13,14,15,17,18);1H