3,4,5-triethoxy-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3,4,5-triethoxy-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 3,4,5-triethoxy-N-[[2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[[2-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C28H38N4O5S MolecularWeight: 542.69012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C(=O)C(C)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C(=O)C(C)C

InChI

InChI=1S/C28H38N4O5S/c1-6-35-23-17-20(18-24(36-7-2)25(23)37-8-3)26(33)30-28(38)29-21-11-9-10-12-22(21)31-13-15-32(16-14-31)27(34)19(4)5/h9-12,17-19H,6-8,13-16H2,1-5H3,(H2,29,30,33,38)