1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethyl-phenyl]-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea

Systemtic Name: 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethyl-phenyl]-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea Openeye Name: 1-[4-[(6,7-dimethoxy-4-quinolyl)oxy]-2,3-dimethyl-phenyl]-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea CAS Name: 1-[4-[(6,7-dimethoxy-4-quinolinyl)oxy]-2,3-dimethylphenyl]-3-[3-(4-methyl-1-piperazinyl)propyl]thiourea IUPAC Name: 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea Traditional Name: 1-[4-[(6,7-dimethoxy-4-quinolyl)oxy]-2,3-dimethyl-phenyl]-3-[3-(4-methylpiperazino)propyl]thiourea Formula: C28H37N5O3S MolecularWeight: 523.69008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC2=C3C=C(C(=CC3=NC=C2)OC)OC)NC(=S)NCCCN4CCN(CC4)C

Isomeric SMILES

CC1=C(C=CC(=C1C)OC2=C3C=C(C(=CC3=NC=C2)OC)OC)NC(=S)NCCCN4CCN(CC4)C

InChI

InChI=1S/C28H37N5O3S/c1-19-20(2)24(36-25-9-11-29-23-18-27(35-5)26(34-4)17-21(23)25)8-7-22(19)31-28(37)30-10-6-12-33-15-13-32(3)14-16-33/h7-9,11,17-18H,6,10,12-16H2,1-5H3,(H2,30,31,37)