4-phenylmethoxy-N-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-phenylmethoxy-N-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 4-benzyloxy-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: N-[[4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: 4-phenylmethoxy-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 4-benzoxy-N-[[4-[4-(2-thenoyl)piperazino]phenyl]thiocarbamoyl]benzamide Formula: C30H28N4O3S2 MolecularWeight: 556.69832

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C30H28N4O3S2/c35-28(23-8-14-26(15-9-23)37-21-22-5-2-1-3-6-22)32-30(38)31-24-10-12-25(13-11-24)33-16-18-34(19-17-33)29(36)27-7-4-20-39-27/h1-15,20H,16-19,21H2,(H2,31,32,35,38)