2-[3-(1-benzothiophen-3-yl)-1-oxidanyl-6-propan-2-ylimino-pyridin-2-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide

Systemtic Name: 2-[3-(1-benzothiophen-3-yl)-1-oxidanyl-6-propan-2-ylimino-pyridin-2-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: 2-[3-(benzothiophen-3-yl)-1-hydroxy-6-isopropylimino-2-pyridyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[3-(1-benzothiophen-3-yl)-1-hydroxy-6-propan-2-ylimino-2-pyridinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[3-(1-benzothiophen-3-yl)-1-hydroxy-6-propan-2-yliminopyridin-2-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[3-(benzothiophen-3-yl)-1-hydroxy-6-isopropylimino-2-pyridyl]acetamide Formula: C26H27N5O2S MolecularWeight: 473.58988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C1C=CC(=C(N1O)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CSC4=CC=CC=C43

Isomeric SMILES

CC(C)N=C1C=CC(=C(N1O)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CSC4=CC=CC=C43

InChI

InChI=1S/C26H27N5O2S/c1-16(2)30-24-12-11-19(21-15-34-23-6-4-3-5-20(21)23)22(31(24)33)13-25(32)29-14-17-7-9-18(10-8-17)26(27)28/h3-12,15-16,33H,13-14H2,1-2H3,(H3,27,28)(H,29,32)