2-[3-(5-azanyl-2-methylsulfanyl-phenyl)-4-chloranyl-1-oxidanyl-6-propan-2-ylimino-pyridin-2-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide

Systemtic Name: 2-[3-(5-azanyl-2-methylsulfanyl-phenyl)-4-chloranyl-1-oxidanyl-6-propan-2-ylimino-pyridin-2-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: 2-[3-(5-amino-2-methylsulfanyl-phenyl)-4-chloro-1-hydroxy-6-isopropylimino-2-pyridyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[3-[5-amino-2-(methylthio)phenyl]-4-chloro-1-hydroxy-6-propan-2-ylimino-2-pyridinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[3-(5-amino-2-methylsulfanylphenyl)-4-chloro-1-hydroxy-6-propan-2-yliminopyridin-2-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[3-[5-amino-2-(methylthio)phenyl]-4-chloro-1-hydroxy-6-isopropylimino-2-pyridyl]acetamide Formula: C25H29ClN6O2S MolecularWeight: 513.05476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C1C=C(C(=C(N1O)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=C(C=CC(=C3)N)SC)Cl

Isomeric SMILES

CC(C)N=C1C=C(C(=C(N1O)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=C(C=CC(=C3)N)SC)Cl

InChI

InChI=1S/C25H29ClN6O2S/c1-14(2)31-22-11-19(26)24(18-10-17(27)8-9-21(18)35-3)20(32(22)34)12-23(33)30-13-15-4-6-16(7-5-15)25(28)29/h4-11,14,34H,12-13,27H2,1-3H3,(H3,28,29)(H,30,33)