N-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide

Systemtic Name: N-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: N-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide CAS Name: N-[[4-[4-(phenylmethyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: N-[[4-(4-benzylpiperazino)phenyl]thiocarbamoyl]-2-naphthamide Formula: C29H28N4OS MolecularWeight: 480.62382

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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=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H28N4OS/c34-28(25-11-10-23-8-4-5-9-24(23)20-25)31-29(35)30-26-12-14-27(15-13-26)33-18-16-32(17-19-33)21-22-6-2-1-3-7-22/h1-15,20H,16-19,21H2,(H2,30,31,34,35)