N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-(4-phenylmethoxyphenoxy)ethanamide

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-(4-phenylmethoxyphenoxy)ethanamide Openeye Name: 2-(4-benzyloxyphenoxy)-N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]acetamide CAS Name: N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-(4-phenylmethoxyphenoxy)acetamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-(4-phenylmethoxyphenoxy)acetamide Traditional Name: 2-(4-benzoxyphenoxy)-N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]acetamide Formula: C30H34N4O4S MolecularWeight: 546.68036

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C30H34N4O4S/c1-2-6-29(36)34-19-17-33(18-20-34)25-11-9-24(10-12-25)31-30(39)32-28(35)22-38-27-15-13-26(14-16-27)37-21-23-7-4-3-5-8-23/h3-5,7-16H,2,6,17-22H2,1H3,(H2,31,32,35,39)