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

Systemtic Name: 4-chloranyl-N-[[2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-4-chloro-benzamide CAS Name: N-[[2-(4-benzoyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-4-chlorobenzamide IUPAC Name: N-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-4-chlorobenzamide Traditional Name: N-[[2-(4-benzoylpiperazino)phenyl]thiocarbamoyl]-4-chloro-benzamide Formula: C25H23ClN4O2S MolecularWeight: 478.99372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H23ClN4O2S/c26-20-12-10-18(11-13-20)23(31)28-25(33)27-21-8-4-5-9-22(21)29-14-16-30(17-15-29)24(32)19-6-2-1-3-7-19/h1-13H,14-17H2,(H2,27,28,31,33)