N-[[4-carbamimidoyl-2-[[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]amino]phenyl]methyl]-3-chloranyl-benzamide hydrochloride

Systemtic Name: N-[[4-carbamimidoyl-2-[[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]amino]phenyl]methyl]-3-chloranyl-benzamide hydrochloride Openeye Name: N-[[4-carbamimidoyl-2-[[2-(isoxazol-3-ylamino)-2-oxo-ethyl]amino]phenyl]methyl]-3-chloro-benzamide hydrochloride CAS Name: N-[[4-carbamimidoyl-2-[[2-(3-isoxazolylamino)-2-oxoethyl]amino]phenyl]methyl]-3-chlorobenzamide hydrochloride IUPAC Name: N-[[4-carbamimidoyl-2-[[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]phenyl]methyl]-3-chlorobenzamide hydrochloride Traditional Name: N-[4-amidino-2-[[2-(isoxazol-3-ylamino)-2-keto-ethyl]amino]benzyl]-3-chloro-benzamide hydrochloride Formula: C20H20Cl2N6O3 MolecularWeight: 463.3172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C(=O)NCC2=C(C=C(C=C2)C(=N)N)NCC(=O)NC3=NOC=C3.Cl

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C(=O)NCC2=C(C=C(C=C2)C(=N)N)NCC(=O)NC3=NOC=C3.Cl

InChI

InChI=1S/C20H19ClN6O3.ClH/c21-15-3-1-2-13(8-15)20(29)25-10-14-5-4-12(19(22)23)9-16(14)24-11-18(28)26-17-6-7-30-27-17;/h1-9,24H,10-11H2,(H3,22,23)(H,25,29)(H,26,27,28);1H