N-[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-2-(4-benzylpiperazin-1-yl)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-2-(4-benzylpiperazino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]thiophene-2-carboxamide Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CS5

InChI

InChI=1S/C27H28N4O2S/c32-26(25-11-6-16-34-25)29-24(17-21-18-28-23-10-5-4-9-22(21)23)27(33)31-14-12-30(13-15-31)19-20-7-2-1-3-8-20/h1-11,16,18,24,28H,12-15,17,19H2,(H,29,32)/t24-/m0/s1