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

Systemtic Name: 2-(1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-N-[3-(4-methylpiperazin-1-yl)propyl]ethanamide Openeye Name: 2-[(1-methyl-2-oxo-4-quinolyl)sulfanyl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide CAS Name: 2-[(1-methyl-2-oxo-4-quinolinyl)thio]-N-[3-(4-methyl-1-piperazinyl)propyl]acetamide IUPAC Name: 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide Traditional Name: 2-[(2-keto-1-methyl-4-quinolyl)thio]-N-[3-(4-methylpiperazino)propyl]acetamide Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC(=O)CSC2=CC(=O)N(C3=CC=CC=C32)C

Isomeric SMILES

CN1CCN(CC1)CCCNC(=O)CSC2=CC(=O)N(C3=CC=CC=C32)C

InChI

InChI=1S/C20H28N4O2S/c1-22-10-12-24(13-11-22)9-5-8-21-19(25)15-27-18-14-20(26)23(2)17-7-4-3-6-16(17)18/h3-4,6-7,14H,5,8-13,15H2,1-2H3,(H,21,25)