N-[[4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3-propoxy-benzamide

Systemtic Name: N-[[4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[4-(4-benzoyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[4-(4-benzoylpiperazino)phenyl]thiocarbamoyl]-3-propoxy-benzamide Formula: C28H30N4O3S MolecularWeight: 502.6278

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

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