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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CS5

InChI

InChI=1S/C27H28N4O2S/c1-19-6-4-7-21(16-19)30-11-13-31(14-12-30)27(33)24(29-26(32)25-10-5-15-34-25)17-20-18-28-23-9-3-2-8-22(20)23/h2-10,15-16,18,24,28H,11-14,17H2,1H3,(H,29,32)/t24-/m0/s1