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

Systemtic Name: 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[2-(4-ethylpiperazin-1-yl)-4-methyl-quinolin-6-yl]thiourea Openeye Name: 1-[3-(3,5-dimethyl-1-piperidyl)propyl]-3-[2-(4-ethylpiperazin-1-yl)-4-methyl-6-quinolyl]thiourea CAS Name: 1-[3-(3,5-dimethyl-1-piperidinyl)propyl]-3-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]thiourea IUPAC Name: 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]thiourea Traditional Name: 1-[3-(3,5-dimethylpiperidino)propyl]-3-[2-(4-ethylpiperazino)-4-methyl-6-quinolyl]thiourea Formula: C27H42N6S MolecularWeight: 482.72758

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)NCCCN4CC(CC(C4)C)C)C(=C2)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)NCCCN4CC(CC(C4)C)C)C(=C2)C

InChI

InChI=1S/C27H42N6S/c1-5-31-11-13-33(14-12-31)26-16-22(4)24-17-23(7-8-25(24)30-26)29-27(34)28-9-6-10-32-18-20(2)15-21(3)19-32/h7-8,16-17,20-21H,5-6,9-15,18-19H2,1-4H3,(H2,28,29,34)