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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CS5

InChI

InChI=1S/C27H28N4O2S/c1-19-7-2-5-10-24(19)30-12-14-31(15-13-30)27(33)23(29-26(32)25-11-6-16-34-25)17-20-18-28-22-9-4-3-8-21(20)22/h2-11,16,18,23,28H,12-15,17H2,1H3,(H,29,32)/t23-/m0/s1