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

Systemtic Name: ethyl 4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-ylcarbothioylamino)benzoate Openeye Name: ethyl 4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbothioylamino)benzoate CAS Name: 4-[[3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl(sulfanylidene)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbothioylamino)benzoate Traditional Name: 4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbothioylamino)benzoic acid ethyl ester Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN3C(=NC4=CC=CC=C43)C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN3C(=NC4=CC=CC=C43)C2

InChI

InChI=1S/C20H20N4O2S/c1-2-26-19(25)14-7-9-15(10-8-14)21-20(27)23-11-12-24-17-6-4-3-5-16(17)22-18(24)13-23/h3-10H,2,11-13H2,1H3,(H,21,27)