[4-[2-[(N-cyano-N'-methyl-carbamimidoyl)amino]ethylsulfanylmethyl]-5-methyl-imidazol-1-yl]methyl butanoate

Systemtic Name: [4-[2-[(N-cyano-N'-methyl-carbamimidoyl)amino]ethylsulfanylmethyl]-5-methyl-imidazol-1-yl]methyl butanoate Openeye Name: [4-[2-[(N-cyano-N'-methyl-carbamimidoyl)amino]ethylsulfanylmethyl]-5-methyl-imidazol-1-yl]methyl butanoate CAS Name: butanoic acid [4-[[2-[[(cyanoamino)-methyliminomethyl]amino]ethylthio]methyl]-5-methyl-1-imidazolyl]methyl ester IUPAC Name: [4-[2-[(N-cyano-N'-methylcarbamimidoyl)amino]ethylsulfanylmethyl]-5-methylimidazol-1-yl]methyl butanoate Traditional Name: butyric acid [4-[[2-[(N-cyano-N'-methyl-amidino)amino]ethylthio]methyl]-5-methyl-imidazol-1-yl]methyl ester Formula: C15H24N6O2S MolecularWeight: 352.45506

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCN1C=NC(=C1C)CSCCNC(=NC)NC#N

Isomeric SMILES

CCCC(=O)OCN1C=NC(=C1C)CSCCNC(=NC)NC#N

InChI

InChI=1S/C15H24N6O2S/c1-4-5-14(22)23-11-21-10-20-13(12(21)2)8-24-7-6-18-15(17-3)19-9-16/h10H,4-8,11H2,1-3H3,(H2,17,18,19)