N-[(E)-N'-[4-[1-[(N-cyano-N'-methyl-carbamimidoyl)amino]butyl]-1,3-thiazol-2-yl]carbamimidoyl]ethanamide

Systemtic Name: N-[(E)-N'-[4-[1-[(N-cyano-N'-methyl-carbamimidoyl)amino]butyl]-1,3-thiazol-2-yl]carbamimidoyl]ethanamide Openeye Name: N-[(E)-N'-[4-[1-[(N-cyano-N'-methyl-carbamimidoyl)amino]butyl]thiazol-2-yl]carbamimidoyl]acetamide CAS Name: N-[(E)-amino-[[4-[1-[[(cyanoamino)-methyliminomethyl]amino]butyl]-2-thiazolyl]imino]methyl]acetamide IUPAC Name: N-[(E)-N'-[4-[1-[(N-cyano-N'-methylcarbamimidoyl)amino]butyl]-1,3-thiazol-2-yl]carbamimidoyl]acetamide Traditional Name: N-[(E)-N'-[4-[1-[(N-cyano-N'-methyl-amidino)amino]butyl]thiazol-2-yl]amidino]acetamide Formula: C13H20N8OS MolecularWeight: 336.4159

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CSC(=N1)N=C(N)NC(=O)C)NC(=NC)NC#N

Isomeric SMILES

CCCC(C1=CSC(=N1)/N=C(\N)/NC(=O)C)NC(=NC)NC#N

InChI

InChI=1S/C13H20N8OS/c1-4-5-9(19-12(16-3)17-7-14)10-6-23-13(20-10)21-11(15)18-8(2)22/h6,9H,4-5H2,1-3H3,(H2,16,17,19)(H3,15,18,20,21,22)