2-(4-ethylphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(4-ethylphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(4-ethylphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]acetamide CAS Name: 2-(4-ethylphenoxy)-N-[[4-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-ethylphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(4-ethylphenoxy)-N-[[4-(4-methylpiperazino)phenyl]thiocarbamoyl]acetamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C

InChI

InChI=1S/C22H28N4O2S/c1-3-17-4-10-20(11-5-17)28-16-21(27)24-22(29)23-18-6-8-19(9-7-18)26-14-12-25(2)13-15-26/h4-11H,3,12-16H2,1-2H3,(H2,23,24,27,29)