3-[2-[(2S)-2-methyl-4-(phenylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethanoyl]-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxamide

Systemtic Name: 3-[2-[(2S)-2-methyl-4-(phenylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethanoyl]-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxamide Openeye Name: 3-[2-[(2S)-4-benzoyl-2-methyl-piperazin-1-yl]-2-oxo-acetyl]-N-(4-methylthiazol-2-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxamide CAS Name: 3-[2-[(2S)-4-benzoyl-2-methyl-1-piperazinyl]-1,2-dioxoethyl]-N-(4-methyl-2-thiazolyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxamide IUPAC Name: 3-[2-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxamide Traditional Name: 3-[2-[(2S)-4-benzoyl-2-methyl-piperazino]-2-keto-acetyl]-N-(4-methylthiazol-2-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxamide Formula: C26H24N6O4S MolecularWeight: 516.57156

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(=O)C2=CNC3=C(C=CN=C23)C(=O)NC4=NC(=CS4)C)C(=O)C5=CC=CC=C5

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)C(=O)C2=CNC3=C(C=CN=C23)C(=O)NC4=NC(=CS4)C)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H24N6O4S/c1-15-14-37-26(29-15)30-23(34)18-8-9-27-21-19(12-28-20(18)21)22(33)25(36)32-11-10-31(13-16(32)2)24(35)17-6-4-3-5-7-17/h3-9,12,14,16,28H,10-11,13H2,1-2H3,(H,29,30,34)/t16-/m0/s1