2-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide

Systemtic Name: 2-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 6-isopropyl-2-[(5-nitrobenzothiophene-2-carbonyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 2-[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 2-[(5-nitro-1-benzothiophene-2-carbonyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 6-isopropyl-2-[(5-nitrobenzothiophene-2-carbonyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C20H21N4O4S2+ MolecularWeight: 445.53514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S2/c1-10(2)23-6-5-13-16(9-23)30-20(17(13)18(21)25)22-19(26)15-8-11-7-12(24(27)28)3-4-14(11)29-15/h3-4,7-8,10H,5-6,9H2,1-2H3,(H2,21,25)(H,22,26)/p+1