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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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