N-[5-(diethylamino)pentan-2-yl]-4-oxidanylidene-1H-[1]benzothiolo[3,2-b]pyridine-2-carboxamide

Systemtic Name: N-[5-(diethylamino)pentan-2-yl]-4-oxidanylidene-1H-[1]benzothiolo[3,2-b]pyridine-2-carboxamide Openeye Name: N-[4-(diethylamino)-1-methyl-butyl]-4-oxo-1H-benzothiopheno[3,2-b]pyridine-2-carboxamide CAS Name: N-[5-(diethylamino)pentan-2-yl]-4-oxo-1H-[1]benzothiolo[3,2-b]pyridine-2-carboxamide IUPAC Name: N-[5-(diethylamino)pentan-2-yl]-4-oxo-1H-[1]benzothiolo[3,2-b]pyridine-2-carboxamide Traditional Name: N-[4-(diethylamino)-1-methyl-butyl]-4-keto-1H-benzothiopheno[3,2-b]pyridine-2-carboxamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC(=O)C1=CC(=O)C2=C(N1)C3=CC=CC=C3S2

Isomeric SMILES

CCN(CC)CCCC(C)NC(=O)C1=CC(=O)C2=C(N1)C3=CC=CC=C3S2

InChI

InChI=1S/C21H27N3O2S/c1-4-24(5-2)12-8-9-14(3)22-21(26)16-13-17(25)20-19(23-16)15-10-6-7-11-18(15)27-20/h6-7,10-11,13-14H,4-5,8-9,12H2,1-3H3,(H,22,26)(H,23,25)