N-[1-(1-benzothiophen-3-yl)-3-[(2-methoxyphenyl)methylamino]propan-2-yl]-2-(4-phenylpiperazin-1-yl)ethanamide

Systemtic Name: N-[1-(1-benzothiophen-3-yl)-3-[(2-methoxyphenyl)methylamino]propan-2-yl]-2-(4-phenylpiperazin-1-yl)ethanamide Openeye Name: N-[1-(benzothiophen-3-ylmethyl)-2-[(2-methoxyphenyl)methylamino]ethyl]-2-(4-phenylpiperazin-1-yl)acetamide CAS Name: N-[1-(1-benzothiophen-3-yl)-3-[(2-methoxyphenyl)methylamino]propan-2-yl]-2-(4-phenyl-1-piperazinyl)acetamide IUPAC Name: N-[1-(1-benzothiophen-3-yl)-3-[(2-methoxyphenyl)methylamino]propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide Traditional Name: N-[1-(benzothiophen-3-ylmethyl)-2-(o-anisylamino)ethyl]-2-(4-phenylpiperazino)acetamide Formula: C31H36N4O2S MolecularWeight: 528.70814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNCC(CC2=CSC3=CC=CC=C32)NC(=O)CN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1CNCC(CC2=CSC3=CC=CC=C32)NC(=O)CN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C31H36N4O2S/c1-37-29-13-7-5-9-24(29)20-32-21-26(19-25-23-38-30-14-8-6-12-28(25)30)33-31(36)22-34-15-17-35(18-16-34)27-10-3-2-4-11-27/h2-14,23,26,32H,15-22H2,1H3,(H,33,36)