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

Systemtic Name: 1-butyl-1-ethyl-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea Openeye Name: 1-butyl-1-ethyl-3-[4-methyl-2-(4-methylpiperazin-1-yl)-6-quinolyl]thiourea CAS Name: 1-butyl-1-ethyl-3-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]thiourea IUPAC Name: 1-butyl-1-ethyl-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea Traditional Name: 1-butyl-1-ethyl-3-[4-methyl-2-(4-methylpiperazino)-6-quinolyl]thiourea Formula: C22H33N5S MolecularWeight: 399.59592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)C(=S)NC1=CC2=C(C=C1)N=C(C=C2C)N3CCN(CC3)C

Isomeric SMILES

CCCCN(CC)C(=S)NC1=CC2=C(C=C1)N=C(C=C2C)N3CCN(CC3)C

InChI

InChI=1S/C22H33N5S/c1-5-7-10-26(6-2)22(28)23-18-8-9-20-19(16-18)17(3)15-21(24-20)27-13-11-25(4)12-14-27/h8-9,15-16H,5-7,10-14H2,1-4H3,(H,23,28)