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

Systemtic Name: 3,4,5-triethoxy-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 3,4,5-triethoxy-N-[[2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[[2-(4-propionylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C27H36N4O5S MolecularWeight: 528.66354

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C(=C3)OCC)OCC)OCC

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C(=C3)OCC)OCC)OCC

InChI

InChI=1S/C27H36N4O5S/c1-5-24(32)31-15-13-30(14-16-31)21-12-10-9-11-20(21)28-27(37)29-26(33)19-17-22(34-6-2)25(36-8-4)23(18-19)35-7-3/h9-12,17-18H,5-8,13-16H2,1-4H3,(H2,28,29,33,37)