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

Systemtic Name: N-[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(4-phenethylpiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-1-(1H-indol-3-ylmethyl)-2-oxo-2-(4-phenethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-phenethyl-1-piperazinyl)propan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-phenethylpiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-(4-phenethylpiperazino)ethyl]thiophene-2-carboxamide Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=C2)C(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=C2)C(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CS5

InChI

InChI=1S/C28H30N4O2S/c33-27(26-11-6-18-35-26)30-25(19-22-20-29-24-10-5-4-9-23(22)24)28(34)32-16-14-31(15-17-32)13-12-21-7-2-1-3-8-21/h1-11,18,20,25,29H,12-17,19H2,(H,30,33)/t25-/m0/s1