N-[[2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: N-[[2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[2-(4-benzoyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[[2-(4-benzoylpiperazino)phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C28H30N4O3S MolecularWeight: 502.6278

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

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