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

Systemtic Name: N-[(2S)-3-(1H-indol-3-yl)-1-(4-methanoylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-2-(4-formylpiperazin-1-yl)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-1-(4-formyl-1-piperazinyl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-1-(4-formylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-2-(4-formylpiperazino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]thiophene-2-carboxamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C=O)C(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H22N4O3S/c26-14-24-7-9-25(10-8-24)21(28)18(23-20(27)19-6-3-11-29-19)12-15-13-22-17-5-2-1-4-16(15)17/h1-6,11,13-14,18,22H,7-10,12H2,(H,23,27)/t18-/m0/s1