ethyl 4-[(6E)-6-[[(4-methylphenyl)carbamothioylamino]-nitroso-methylidene]-1H-pyrazin-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(6E)-6-[[(4-methylphenyl)carbamothioylamino]-nitroso-methylidene]-1H-pyrazin-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(6E)-6-[nitroso-(p-tolylcarbamothioylamino)methylene]-1H-pyrazin-2-yl]piperazine-1-carboxylate CAS Name: 4-[(6E)-6-[[[(4-methylanilino)-sulfanylidenemethyl]amino]-nitrosomethylidene]-1H-pyrazin-2-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(6E)-6-[[(4-methylphenyl)carbamothioylamino]-nitrosomethylidene]-1H-pyrazin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[(6E)-6-[nitroso-(p-tolylthiocarbamoylamino)methylene]-1H-pyrazin-2-yl]piperazine-1-carboxylic acid ethyl ester Formula: C20H25N7O3S MolecularWeight: 443.5226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CN=CC(=C(NC(=S)NC3=CC=C(C=C3)C)N=O)N2

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CN=C/C(=C(/NC(=S)NC3=CC=C(C=C3)C)\N=O)/N2

InChI

InChI=1S/C20H25N7O3S/c1-3-30-20(28)27-10-8-26(9-11-27)17-13-21-12-16(23-17)18(25-29)24-19(31)22-15-6-4-14(2)5-7-15/h4-7,12-13,23H,3,8-11H2,1-2H3,(H2,22,24,31)/b18-16+