ethyl 4-[6-[(E)-N'-(pyrrolidin-1-ylcarbothioylamino)carbamimidoyl]pyrazin-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-[(E)-N'-(pyrrolidin-1-ylcarbothioylamino)carbamimidoyl]pyrazin-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-[(E)-N'-(pyrrolidine-1-carbothioylamino)carbamimidoyl]pyrazin-2-yl]piperazine-1-carboxylate CAS Name: 4-[6-[(E)-amino-[[1-pyrrolidinyl(sulfanylidene)methyl]hydrazinylidene]methyl]-2-pyrazinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-[(E)-N'-(pyrrolidine-1-carbothioylamino)carbamimidoyl]pyrazin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[6-[(E)-N'-(pyrrolidine-1-carbothioylamino)amidino]pyrazin-2-yl]piperazine-1-carboxylic acid ethyl ester Formula: C17H26N8O2S MolecularWeight: 406.50574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC(=CN=C2)C(=NNC(=S)N3CCCC3)N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC(=CN=C2)/C(=N\NC(=S)N3CCCC3)/N

InChI

InChI=1S/C17H26N8O2S/c1-2-27-17(26)25-9-7-23(8-10-25)14-12-19-11-13(20-14)15(18)21-22-16(28)24-5-3-4-6-24/h11-12H,2-10H2,1H3,(H2,18,21)(H,22,28)