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

Systemtic Name: 5-chloranyl-N-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamothioyl]-5-chloro-naphthalene-1-carboxamide CAS Name: 5-chloro-N-[[4-[4-(phenylmethyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamothioyl]-5-chloronaphthalene-1-carboxamide Traditional Name: N-[[4-(4-benzylpiperazino)phenyl]thiocarbamoyl]-5-chloro-1-naphthamide Formula: C29H27ClN4OS MolecularWeight: 515.06888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Cl

InChI

InChI=1S/C29H27ClN4OS/c30-27-11-5-8-24-25(27)9-4-10-26(24)28(35)32-29(36)31-22-12-14-23(15-13-22)34-18-16-33(17-19-34)20-21-6-2-1-3-7-21/h1-15H,16-20H2,(H2,31,32,35,36)