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

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C29H32N4O3S MolecularWeight: 516.65438

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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=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C29H32N4O3S/c1-2-6-27(34)33-19-17-32(18-20-33)25-13-11-24(12-14-25)30-29(37)31-28(35)23-9-15-26(16-10-23)36-21-22-7-4-3-5-8-22/h3-5,7-16H,2,6,17-21H2,1H3,(H2,30,31,35,37)