5-chloranyl-N-[[2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: 5-chloranyl-N-[[2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-5-chloro-naphthalene-1-carboxamide CAS Name: N-[[2-(4-benzoyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-5-chloro-1-naphthalenecarboxamide IUPAC Name: N-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-5-chloronaphthalene-1-carboxamide Traditional Name: N-[[2-(4-benzoylpiperazino)phenyl]thiocarbamoyl]-5-chloro-1-naphthamide Formula: C29H25ClN4O2S MolecularWeight: 529.0524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Cl)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Cl)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H25ClN4O2S/c30-24-13-7-10-21-22(24)11-6-12-23(21)27(35)32-29(37)31-25-14-4-5-15-26(25)33-16-18-34(19-17-33)28(36)20-8-2-1-3-9-20/h1-15H,16-19H2,(H2,31,32,35,37)