1-[(2,5-dimethoxyphenyl)methyl]-3-[2-(4-ethylpiperazin-1-yl)-4-methyl-quinolin-6-yl]thiourea

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]-3-[2-(4-ethylpiperazin-1-yl)-4-methyl-quinolin-6-yl]thiourea Openeye Name: 1-[(2,5-dimethoxyphenyl)methyl]-3-[2-(4-ethylpiperazin-1-yl)-4-methyl-6-quinolyl]thiourea CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-3-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]thiourea IUPAC Name: 1-[(2,5-dimethoxyphenyl)methyl]-3-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]thiourea Traditional Name: 1-(2,5-dimethoxybenzyl)-3-[2-(4-ethylpiperazino)-4-methyl-6-quinolyl]thiourea Formula: C26H33N5O2S MolecularWeight: 479.63752

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)NCC4=C(C=CC(=C4)OC)OC)C(=C2)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)NCC4=C(C=CC(=C4)OC)OC)C(=C2)C

InChI

InChI=1S/C26H33N5O2S/c1-5-30-10-12-31(13-11-30)25-14-18(2)22-16-20(6-8-23(22)29-25)28-26(34)27-17-19-15-21(32-3)7-9-24(19)33-4/h6-9,14-16H,5,10-13,17H2,1-4H3,(H2,27,28,34)