N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-ethoxy-benzamide

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-ethoxy-benzamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-ethoxy-benzamide CAS Name: 3-ethoxy-N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-ethoxybenzamide Traditional Name: N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-3-ethoxy-benzamide Formula: C24H30N4O3S MolecularWeight: 454.585

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O3S/c1-3-6-22(29)28-15-13-27(14-16-28)20-11-9-19(10-12-20)25-24(32)26-23(30)18-7-5-8-21(17-18)31-4-2/h5,7-12,17H,3-4,6,13-16H2,1-2H3,(H2,25,26,30,32)