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

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-phenoxy-benzamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-phenoxy-benzamide CAS Name: N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-phenoxybenzamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-phenoxybenzamide Traditional Name: N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-4-phenoxy-benzamide Formula: C28H30N4O3S MolecularWeight: 502.6278

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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)OC4=CC=CC=C4

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C28H30N4O3S/c1-2-6-26(33)32-19-17-31(18-20-32)23-13-11-22(12-14-23)29-28(36)30-27(34)21-9-15-25(16-10-21)35-24-7-4-3-5-8-24/h3-5,7-16H,2,6,17-20H2,1H3,(H2,29,30,34,36)