N-[2-(4-ethylpiperazin-1-yl)-4-methyl-quinolin-6-yl]pyrrolidine-1-carbothioamide

Systemtic Name: N-[2-(4-ethylpiperazin-1-yl)-4-methyl-quinolin-6-yl]pyrrolidine-1-carbothioamide Openeye Name: N-[2-(4-ethylpiperazin-1-yl)-4-methyl-6-quinolyl]pyrrolidine-1-carbothioamide CAS Name: N-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]-1-pyrrolidinecarbothioamide IUPAC Name: N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]pyrrolidine-1-carbothioamide Traditional Name: N-[2-(4-ethylpiperazino)-4-methyl-6-quinolyl]pyrrolidine-1-carbothioamide Formula: C21H29N5S MolecularWeight: 383.55346

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)N4CCCC4)C(=C2)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)N4CCCC4)C(=C2)C

InChI

InChI=1S/C21H29N5S/c1-3-24-10-12-25(13-11-24)20-14-16(2)18-15-17(6-7-19(18)23-20)22-21(27)26-8-4-5-9-26/h6-7,14-15H,3-5,8-13H2,1-2H3,(H,22,27)