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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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