1H-imidazol-2-ylmethyl-[[2-methoxycarbonyl-3-[(5-methylthiophen-2-yl)carbonylamino]thieno[2,3-b]pyridin-6-yl]methyl]-methyl-azanium

Systemtic Name: 1H-imidazol-2-ylmethyl-[[2-methoxycarbonyl-3-[(5-methylthiophen-2-yl)carbonylamino]thieno[2,3-b]pyridin-6-yl]methyl]-methyl-azanium Openeye Name: 1H-imidazol-2-ylmethyl-[[2-methoxycarbonyl-3-[(5-methylthiophene-2-carbonyl)amino]thieno[2,3-b]pyridin-6-yl]methyl]-methyl-ammonium CAS Name: 1H-imidazol-2-ylmethyl-[[2-methoxycarbonyl-3-[[(5-methyl-2-thiophenyl)-oxomethyl]amino]-6-thieno[2,3-b]pyridinyl]methyl]-methylammonium IUPAC Name: 1H-imidazol-2-ylmethyl-[[2-methoxycarbonyl-3-[(5-methylthiophene-2-carbonyl)amino]thieno[2,3-b]pyridin-6-yl]methyl]-methylazanium Traditional Name: [2-carbomethoxy-3-[(5-methylthiophene-2-carbonyl)amino]thieno[2,3-b]pyridin-6-yl]methyl-(1H-imidazol-2-ylmethyl)-methyl-ammonium Formula: C21H22N5O3S2+ MolecularWeight: 456.56108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)NC2=C(SC3=C2C=CC(=N3)C[NH+](C)CC4=NC=CN4)C(=O)OC

Isomeric SMILES

CC1=CC=C(S1)C(=O)NC2=C(SC3=C2C=CC(=N3)C[NH+](C)CC4=NC=CN4)C(=O)OC

InChI

InChI=1S/C21H21N5O3S2/c1-12-4-7-15(30-12)19(27)25-17-14-6-5-13(10-26(2)11-16-22-8-9-23-16)24-20(14)31-18(17)21(28)29-3/h4-9H,10-11H2,1-3H3,(H,22,23)(H,25,27)/p+1