ethyl 3-[(5-methylpyrazin-2-yl)methylcarbamothioylamino]benzoate

Systemtic Name: ethyl 3-[(5-methylpyrazin-2-yl)methylcarbamothioylamino]benzoate Openeye Name: ethyl 3-[(5-methylpyrazin-2-yl)methylcarbamothioylamino]benzoate CAS Name: 3-[[[(5-methyl-2-pyrazinyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(5-methylpyrazin-2-yl)methylcarbamothioylamino]benzoate Traditional Name: 3-[(5-methylpyrazin-2-yl)methylthiocarbamoylamino]benzoic acid ethyl ester Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCC2=NC=C(N=C2)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCC2=NC=C(N=C2)C

InChI

InChI=1S/C16H18N4O2S/c1-3-22-15(21)12-5-4-6-13(7-12)20-16(23)19-10-14-9-17-11(2)8-18-14/h4-9H,3,10H2,1-2H3,(H2,19,20,23)