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

Systemtic Name: N-[[4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[4-(4-benzoyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[[4-(4-benzoylpiperazino)phenyl]thiocarbamoyl]-1-naphthamide Formula: C29H26N4O2S MolecularWeight: 494.60734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H26N4O2S/c34-27(26-12-6-10-21-7-4-5-11-25(21)26)31-29(36)30-23-13-15-24(16-14-23)32-17-19-33(20-18-32)28(35)22-8-2-1-3-9-22/h1-16H,17-20H2,(H2,30,31,34,36)