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

Systemtic Name: 2-(1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-N-[3-(4-propylpiperazin-1-yl)propyl]ethanamide Openeye Name: 2-[(1-methyl-2-oxo-4-quinolyl)sulfanyl]-N-[3-(4-propylpiperazin-1-yl)propyl]acetamide CAS Name: 2-[(1-methyl-2-oxo-4-quinolinyl)thio]-N-[3-(4-propyl-1-piperazinyl)propyl]acetamide IUPAC Name: 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[3-(4-propylpiperazin-1-yl)propyl]acetamide Traditional Name: 2-[(2-keto-1-methyl-4-quinolyl)thio]-N-[3-(4-propylpiperazino)propyl]acetamide Formula: C22H32N4O2S MolecularWeight: 416.58008

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)CCCNC(=O)CSC2=CC(=O)N(C3=CC=CC=C32)C

Isomeric SMILES

CCCN1CCN(CC1)CCCNC(=O)CSC2=CC(=O)N(C3=CC=CC=C32)C

InChI

InChI=1S/C22H32N4O2S/c1-3-10-25-12-14-26(15-13-25)11-6-9-23-21(27)17-29-20-16-22(28)24(2)19-8-5-4-7-18(19)20/h4-5,7-8,16H,3,6,9-15,17H2,1-2H3,(H,23,27)