methyl N'-[1-[3-(2-azanyl-1H-imidazol-5-yl)propanoylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]-N-cyano-carbamimidothioate

Systemtic Name: methyl N'-[1-[3-(2-azanyl-1H-imidazol-5-yl)propanoylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]-N-cyano-carbamimidothioate Openeye Name: N-[3-(2-amino-1H-imidazol-5-yl)propanoyl]-2-[[(cyanoamino)-methylsulfanyl-methylene]amino]-3-phenyl-propanamide CAS Name: N'-[1-[[3-(2-amino-1H-imidazol-5-yl)-1-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]-N-cyanocarbamimidothioic acid methyl ester IUPAC Name: methyl N'-[1-[3-(2-amino-1H-imidazol-5-yl)propanoylamino]-1-oxo-3-phenylpropan-2-yl]-N-cyanocarbamimidothioate Traditional Name: N-[3-(2-amino-1H-imidazol-5-yl)propanoyl]-2-[[(cyanoamino)-(methylthio)methylene]amino]-3-phenyl-propionamide Formula: C18H21N7O2S MolecularWeight: 399.47004

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC(CC1=CC=CC=C1)C(=O)NC(=O)CCC2=CN=C(N2)N)NC#N

Isomeric SMILES

CSC(=NC(CC1=CC=CC=C1)C(=O)NC(=O)CCC2=CN=C(N2)N)NC#N

InChI

InChI=1S/C18H21N7O2S/c1-28-18(22-11-19)24-14(9-12-5-3-2-4-6-12)16(27)25-15(26)8-7-13-10-21-17(20)23-13/h2-6,10,14H,7-9H2,1H3,(H,22,24)(H3,20,21,23)(H,25,26,27)