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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-4-oxidanylidene-5H-thieno[3,2-c]quinoline-2-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-4-keto-5H-thieno[3,2-c]quinoline-2-carboxamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC(=O)C2=CC3=C(S2)C4=CC=CC=C4NC3=O

Isomeric SMILES

C1CCCN(CC1)CCCNC(=O)C2=CC3=C(S2)C4=CC=CC=C4NC3=O

InChI

InChI=1S/C21H25N3O2S/c25-20-16-14-18(27-19(16)15-8-3-4-9-17(15)23-20)21(26)22-10-7-13-24-11-5-1-2-6-12-24/h3-4,8-9,14H,1-2,5-7,10-13H2,(H,22,26)(H,23,25)