N-[4-[(3-carbamimidoylphenyl)carbamoylamino]-2-oxidanyl-phenyl]-4-methyl-benzamide

Systemtic Name: N-[4-[(3-carbamimidoylphenyl)carbamoylamino]-2-oxidanyl-phenyl]-4-methyl-benzamide Openeye Name: N-[4-[(3-carbamimidoylphenyl)carbamoylamino]-2-hydroxy-phenyl]-4-methyl-benzamide CAS Name: N-[4-[[(3-carbamimidoylanilino)-oxomethyl]amino]-2-hydroxyphenyl]-4-methylbenzamide IUPAC Name: N-[4-[(3-carbamimidoylphenyl)carbamoylamino]-2-hydroxyphenyl]-4-methylbenzamide Traditional Name: N-[4-[(3-amidinophenyl)carbamoylamino]-2-hydroxy-phenyl]-4-methyl-benzamide Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)NC3=CC=CC(=C3)C(=N)N)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)NC3=CC=CC(=C3)C(=N)N)O

InChI

InChI=1S/C22H21N5O3/c1-13-5-7-14(8-6-13)21(29)27-18-10-9-17(12-19(18)28)26-22(30)25-16-4-2-3-15(11-16)20(23)24/h2-12,28H,1H3,(H3,23,24)(H,27,29)(H2,25,26,30)