4,5-dimethyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-2-pyrrol-1-yl-thiophene-3-carboxamide

Systemtic Name: 4,5-dimethyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-2-pyrrol-1-yl-thiophene-3-carboxamide Openeye Name: 4,5-dimethyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-2-pyrrol-1-yl-thiophene-3-carboxamide CAS Name: 4,5-dimethyl-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-2-(1-pyrrolyl)-3-thiophenecarboxamide IUPAC Name: 4,5-dimethyl-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-2-pyrrol-1-ylthiophene-3-carboxamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3)N4C=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3)N4C=CC=C4)C

InChI

InChI=1S/C20H21N5O2S/c1-13-14(2)28-20(24-8-3-4-9-24)18(13)19(27)23-15-5-6-16(22-11-15)25-10-7-21-17(26)12-25/h3-6,8-9,11H,7,10,12H2,1-2H3,(H,21,26)(H,23,27)