1-(3-methylbutyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea Openeye Name: 1-isopentyl-3-[4-methyl-2-(4-methylpiperazin-1-yl)-6-quinolyl]thiourea CAS Name: 1-(3-methylbutyl)-3-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea Traditional Name: 1-isoamyl-3-[4-methyl-2-(4-methylpiperazino)-6-quinolyl]thiourea Formula: C21H31N5S MolecularWeight: 385.56934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=S)NCCC(C)C)N3CCN(CC3)C

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=S)NCCC(C)C)N3CCN(CC3)C

InChI

InChI=1S/C21H31N5S/c1-15(2)7-8-22-21(27)23-17-5-6-19-18(14-17)16(3)13-20(24-19)26-11-9-25(4)10-12-26/h5-6,13-15H,7-12H2,1-4H3,(H2,22,23,27)