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

Systemtic Name: 1-(4-ethoxyphenyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)-4-methyl-quinolin-6-yl]thiourea Openeye Name: 1-(4-ethoxyphenyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)-4-methyl-6-quinolyl]thiourea CAS Name: 1-(4-ethoxyphenyl)-1-ethyl-3-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]thiourea IUPAC Name: 1-(4-ethoxyphenyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]thiourea Traditional Name: 1-ethyl-3-[2-(4-ethylpiperazino)-4-methyl-6-quinolyl]-1-p-phenetyl-thiourea Formula: C27H35N5OS MolecularWeight: 477.6647

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)N(CC)C4=CC=C(C=C4)OCC)C(=C2)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)N(CC)C4=CC=C(C=C4)OCC)C(=C2)C

InChI

InChI=1S/C27H35N5OS/c1-5-30-14-16-31(17-15-30)26-18-20(4)24-19-21(8-13-25(24)29-26)28-27(34)32(6-2)22-9-11-23(12-10-22)33-7-3/h8-13,18-19H,5-7,14-17H2,1-4H3,(H,28,34)