N-[3-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[oxo-[4-[4-(phenylmethyl)-1-piperazinyl]anilino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[4-(4-benzylpiperazino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide Formula: C29H28N4O2S MolecularWeight: 496.62322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)NC(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)NC(=O)C5=CC=CS5

InChI

InChI=1S/C29H28N4O2S/c34-28(23-8-4-9-25(20-23)31-29(35)27-10-5-19-36-27)30-24-11-13-26(14-12-24)33-17-15-32(16-18-33)21-22-6-2-1-3-7-22/h1-14,19-20H,15-18,21H2,(H,30,34)(H,31,35)