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

Systemtic Name: 1-(2-dimethylaminoethyl)-3-[2-(4-ethylpiperazin-1-yl)-4-methyl-quinolin-6-yl]thiourea Openeye Name: 1-(2-dimethylaminoethyl)-3-[2-(4-ethylpiperazin-1-yl)-4-methyl-6-quinolyl]thiourea CAS Name: 1-(2-dimethylaminoethyl)-3-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]thiourea IUPAC Name: 1-(2-dimethylaminoethyl)-3-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]thiourea Traditional Name: 1-(2-dimethylaminoethyl)-3-[2-(4-ethylpiperazino)-4-methyl-6-quinolyl]thiourea Formula: C21H32N6S MolecularWeight: 400.58398

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)NCCN(C)C)C(=C2)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)NCCN(C)C)C(=C2)C

InChI

InChI=1S/C21H32N6S/c1-5-26-10-12-27(13-11-26)20-14-16(2)18-15-17(6-7-19(18)24-20)23-21(28)22-8-9-25(3)4/h6-7,14-15H,5,8-13H2,1-4H3,(H2,22,23,28)