N-[[4-carbamimidoyl-2-[(2-oxidanylidene-2-phenylazanyl-ethyl)amino]phenyl]methyl]-3-methyl-benzamide hydrochloride

Systemtic Name: N-[[4-carbamimidoyl-2-[(2-oxidanylidene-2-phenylazanyl-ethyl)amino]phenyl]methyl]-3-methyl-benzamide hydrochloride Openeye Name: N-[[2-[(2-anilino-2-oxo-ethyl)amino]-4-carbamimidoyl-phenyl]methyl]-3-methyl-benzamide hydrochloride CAS Name: N-[[2-[(2-anilino-2-oxoethyl)amino]-4-carbamimidoylphenyl]methyl]-3-methylbenzamide hydrochloride IUPAC Name: N-[[2-[(2-anilino-2-oxoethyl)amino]-4-carbamimidoylphenyl]methyl]-3-methylbenzamide hydrochloride Traditional Name: N-[4-amidino-2-[(2-anilino-2-keto-ethyl)amino]benzyl]-3-methyl-benzamide hydrochloride Formula: C24H26ClN5O2 MolecularWeight: 451.94854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)NCC(=O)NC3=CC=CC=C3.Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)NCC(=O)NC3=CC=CC=C3.Cl

InChI

InChI=1S/C24H25N5O2.ClH/c1-16-6-5-7-18(12-16)24(31)28-14-19-11-10-17(23(25)26)13-21(19)27-15-22(30)29-20-8-3-2-4-9-20;/h2-13,27H,14-15H2,1H3,(H3,25,26)(H,28,31)(H,29,30);1H