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

Systemtic Name: 1-butyl-3-[2-(4-ethylpiperazin-1-yl)-4-methyl-quinolin-6-yl]thiourea Openeye Name: 1-butyl-3-[2-(4-ethylpiperazin-1-yl)-4-methyl-6-quinolyl]thiourea CAS Name: 1-butyl-3-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]thiourea IUPAC Name: 1-butyl-3-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]thiourea Traditional Name: 1-butyl-3-[2-(4-ethylpiperazino)-4-methyl-6-quinolyl]thiourea Formula: C21H31N5S MolecularWeight: 385.56934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5S/c1-4-6-9-22-21(27)23-17-7-8-19-18(15-17)16(3)14-20(24-19)26-12-10-25(5-2)11-13-26/h7-8,14-15H,4-6,9-13H2,1-3H3,(H2,22,23,27)