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

Systemtic Name: 1-carbamothioyl-3-(2-methylisoquinolin-2-ium-4-yl)thiourea Openeye Name: 1-carbamothioyl-3-(2-methylisoquinolin-2-ium-4-yl)thiourea CAS Name: 1-carbamothioyl-3-(2-methyl-4-isoquinolin-2-iumyl)thiourea IUPAC Name: 1-carbamothioyl-3-(2-methylisoquinolin-2-ium-4-yl)thiourea Traditional Name: 1-(2-methylisoquinolin-2-ium-4-yl)-3-thiocarbamoyl-thiourea Formula: C12H13N4S2+ MolecularWeight: 277.38842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4S2/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)/p+1