methyl 2-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-ylcarbothioylamino)benzoate

Systemtic Name: methyl 2-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-ylcarbothioylamino)benzoate Openeye Name: methyl 2-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbothioylamino)benzoate CAS Name: 2-[[3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl(sulfanylidene)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbothioylamino)benzoate Traditional Name: 2-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbothioylamino)benzoic acid methyl ester Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N2CCN3C(=NC4=CC=CC=C43)C2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N2CCN3C(=NC4=CC=CC=C43)C2

InChI

InChI=1S/C19H18N4O2S/c1-25-18(24)13-6-2-3-7-14(13)21-19(26)22-10-11-23-16-9-5-4-8-15(16)20-17(23)12-22/h2-9H,10-12H2,1H3,(H,21,26)