N-[3-(azepan-1-yl)propyl]-8-methyl-4-oxidanylidene-5H-thieno[3,2-c]quinoline-2-carboxamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-8-methyl-4-oxidanylidene-5H-thieno[3,2-c]quinoline-2-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-4-keto-8-methyl-5H-thieno[3,2-c]quinoline-2-carboxamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C3=C2SC(=C3)C(=O)NCCCN4CCCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C3=C2SC(=C3)C(=O)NCCCN4CCCCCC4

InChI

InChI=1S/C22H27N3O2S/c1-15-7-8-18-16(13-15)20-17(21(26)24-18)14-19(28-20)22(27)23-9-6-12-25-10-4-2-3-5-11-25/h7-8,13-14H,2-6,9-12H2,1H3,(H,23,27)(H,24,26)