methyl 4-[(5-methylpyrazin-2-yl)methylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(5-methylpyrazin-2-yl)methylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(5-methylpyrazin-2-yl)methylcarbamothioylamino]benzoate CAS Name: 4-[[[(5-methyl-2-pyrazinyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-methylpyrazin-2-yl)methylcarbamothioylamino]benzoate Traditional Name: 4-[(5-methylpyrazin-2-yl)methylthiocarbamoylamino]benzoic acid methyl ester Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=N1)CNC(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CN=C(C=N1)CNC(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C15H16N4O2S/c1-10-7-17-13(8-16-10)9-18-15(22)19-12-5-3-11(4-6-12)14(20)21-2/h3-8H,9H2,1-2H3,(H2,18,19,22)