N-[3-(dipropylamino)propyl]-2-(1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-(dipropylamino)propyl]-2-(1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-ethanamide Openeye Name: N-[3-(dipropylamino)propyl]-2-[(1-methyl-2-oxo-4-quinolyl)sulfanyl]acetamide CAS Name: N-[3-(dipropylamino)propyl]-2-[(1-methyl-2-oxo-4-quinolinyl)thio]acetamide IUPAC Name: N-[3-(dipropylamino)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide Traditional Name: N-[3-(dipropylamino)propyl]-2-[(2-keto-1-methyl-4-quinolyl)thio]acetamide Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CCCNC(=O)CSC1=CC(=O)N(C2=CC=CC=C21)C

Isomeric SMILES

CCCN(CCC)CCCNC(=O)CSC1=CC(=O)N(C2=CC=CC=C21)C

InChI

InChI=1S/C21H31N3O2S/c1-4-12-24(13-5-2)14-8-11-22-20(25)16-27-19-15-21(26)23(3)18-10-7-6-9-17(18)19/h6-7,9-10,15H,4-5,8,11-14,16H2,1-3H3,(H,22,25)