2-azanyl-N-[4-[7-[[2,6-bis(fluoranyl)phenyl]methyl]-3-[[methyl-(phenylmethyl)amino]methyl]-5-(2-methylpropanoyl)-4-oxidanylidene-thieno[2,3-b]pyridin-2-yl]phenyl]ethanamide dihydrochloride

Systemtic Name: 2-azanyl-N-[4-[7-[[2,6-bis(fluoranyl)phenyl]methyl]-3-[[methyl-(phenylmethyl)amino]methyl]-5-(2-methylpropanoyl)-4-oxidanylidene-thieno[2,3-b]pyridin-2-yl]phenyl]ethanamide dihydrochloride Openeye Name: 2-amino-N-[4-[3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-5-(2-methylpropanoyl)-4-oxo-thieno[2,3-b]pyridin-2-yl]phenyl]acetamide dihydrochloride CAS Name: 2-amino-N-[4-[7-[(2,6-difluorophenyl)methyl]-5-(2-methyl-1-oxopropyl)-3-[[methyl-(phenylmethyl)amino]methyl]-4-oxo-2-thieno[2,3-b]pyridinyl]phenyl]acetamide dihydrochloride IUPAC Name: 2-amino-N-[4-[3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-5-(2-methylpropanoyl)-4-oxothieno[2,3-b]pyridin-2-yl]phenyl]acetamide dihydrochloride Traditional Name: 2-amino-N-[4-[3-[[benzyl(methyl)amino]methyl]-7-(2,6-difluorobenzyl)-5-isobutyryl-4-keto-thieno[2,3-b]pyridin-2-yl]phenyl]acetamide dihydrochloride Formula: C35H36Cl2F2N4O3S MolecularWeight: 701.653146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=CN(C2=C(C1=O)C(=C(S2)C3=CC=C(C=C3)NC(=O)CN)CN(C)CC4=CC=CC=C4)CC5=C(C=CC=C5F)F.Cl.Cl

Isomeric SMILES

CC(C)C(=O)C1=CN(C2=C(C1=O)C(=C(S2)C3=CC=C(C=C3)NC(=O)CN)CN(C)CC4=CC=CC=C4)CC5=C(C=CC=C5F)F.Cl.Cl

InChI

InChI=1S/C35H34F2N4O3S.2ClH/c1-21(2)32(43)27-20-41(19-25-28(36)10-7-11-29(25)37)35-31(33(27)44)26(18-40(3)17-22-8-5-4-6-9-22)34(45-35)23-12-14-24(15-13-23)39-30(42)16-38;;/h4-15,20-21H,16-19,38H2,1-3H3,(H,39,42);2*1H