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

Systemtic Name: 1,1-diethyl-3-[2-(4-ethylpiperazin-1-yl)-4-methyl-quinolin-6-yl]thiourea Openeye Name: 1,1-diethyl-3-[2-(4-ethylpiperazin-1-yl)-4-methyl-6-quinolyl]thiourea CAS Name: 1,1-diethyl-3-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]thiourea IUPAC Name: 1,1-diethyl-3-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]thiourea Traditional Name: 1,1-diethyl-3-[2-(4-ethylpiperazino)-4-methyl-6-quinolyl]thiourea Formula: C21H31N5S MolecularWeight: 385.56934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5S/c1-5-24-10-12-26(13-11-24)20-14-16(4)18-15-17(8-9-19(18)23-20)22-21(27)25(6-2)7-3/h8-9,14-15H,5-7,10-13H2,1-4H3,(H,22,27)