N-[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[3-[(3-methoxypropylamino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(methylthio)nicotinamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

COCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C20H25N3O3S2/c1-26-12-6-11-21-18(25)16-13-7-3-4-9-15(13)28-20(16)23-17(24)14-8-5-10-22-19(14)27-2/h5,8,10H,3-4,6-7,9,11-12H2,1-2H3,(H,21,25)(H,23,24)