2-(3-methylphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(3-methylphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(3-methylphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]acetamide CAS Name: 2-(3-methylphenoxy)-N-[[4-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(3-methylphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(3-methylphenoxy)-N-[[4-(4-methylpiperazino)phenyl]thiocarbamoyl]acetamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C

InChI

InChI=1S/C21H26N4O2S/c1-16-4-3-5-19(14-16)27-15-20(26)23-21(28)22-17-6-8-18(9-7-17)25-12-10-24(2)11-13-25/h3-9,14H,10-13,15H2,1-2H3,(H2,22,23,26,28)