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

Systemtic Name: ethyl 4-[(6E)-6-[[(4-bromophenyl)carbamothioylamino]-nitroso-methylidene]-1H-pyrazin-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(6E)-6-[[(4-bromophenyl)carbamothioylamino]-nitroso-methylene]-1H-pyrazin-2-yl]piperazine-1-carboxylate CAS Name: 4-[(6E)-6-[[[(4-bromoanilino)-sulfanylidenemethyl]amino]-nitrosomethylidene]-1H-pyrazin-2-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(6E)-6-[[(4-bromophenyl)carbamothioylamino]-nitrosomethylidene]-1H-pyrazin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[(6E)-6-[[(4-bromophenyl)thiocarbamoylamino]-nitroso-methylene]-1H-pyrazin-2-yl]piperazine-1-carboxylic acid ethyl ester Formula: C19H22BrN7O3S MolecularWeight: 508.39208

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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)Br)N=O)N2

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN7O3S/c1-2-30-19(28)27-9-7-26(8-10-27)16-12-21-11-15(23-16)17(25-29)24-18(31)22-14-5-3-13(20)4-6-14/h3-6,11-12,23H,2,7-10H2,1H3,(H2,22,24,31)/b17-15+