N-[[2-(2-azanyl-2-oxidanylidene-ethoxy)-4-carbamimidoyl-phenyl]methyl]-3-chloranyl-5-(2-methylpropanoylamino)benzamide

Systemtic Name: N-[[2-(2-azanyl-2-oxidanylidene-ethoxy)-4-carbamimidoyl-phenyl]methyl]-3-chloranyl-5-(2-methylpropanoylamino)benzamide Openeye Name: N-[[2-(2-amino-2-oxo-ethoxy)-4-carbamimidoyl-phenyl]methyl]-3-chloro-5-(2-methylpropanoylamino)benzamide CAS Name: N-[[2-(2-amino-2-oxoethoxy)-4-carbamimidoylphenyl]methyl]-3-chloro-5-[(2-methyl-1-oxopropyl)amino]benzamide IUPAC Name: N-[[2-(2-amino-2-oxoethoxy)-4-carbamimidoylphenyl]methyl]-3-chloro-5-(2-methylpropanoylamino)benzamide Traditional Name: N-[4-amidino-2-(2-amino-2-keto-ethoxy)benzyl]-3-chloro-5-(isobutyrylamino)benzamide Formula: C21H24ClN5O4 MolecularWeight: 445.89936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC(=CC(=C1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)OCC(=O)N)Cl

Isomeric SMILES

CC(C)C(=O)NC1=CC(=CC(=C1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)OCC(=O)N)Cl

InChI

InChI=1S/C21H24ClN5O4/c1-11(2)20(29)27-16-6-14(5-15(22)8-16)21(30)26-9-13-4-3-12(19(24)25)7-17(13)31-10-18(23)28/h3-8,11H,9-10H2,1-2H3,(H2,23,28)(H3,24,25)(H,26,30)(H,27,29)