4-(2-methyl-1,3-thiazol-4-yl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-(2-methyl-1,3-thiazol-4-yl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-1H-pyrrole-2-carboxamide Openeye Name: 4-(2-methylthiazol-4-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-1H-pyrrole-2-carboxamide CAS Name: 4-(2-methyl-4-thiazolyl)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-(2-methyl-1,3-thiazol-4-yl)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-1H-pyrrole-2-carboxamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-4-(2-methylthiazol-4-yl)-1H-pyrrole-2-carboxamide Formula: C18H18N6O2S MolecularWeight: 382.43952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CNC(=C2)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

CC1=NC(=CS1)C2=CNC(=C2)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

InChI

InChI=1S/C18H18N6O2S/c1-11-22-15(10-27-11)12-6-14(20-7-12)18(26)23-13-2-3-16(21-8-13)24-5-4-19-17(25)9-24/h2-3,6-8,10,20H,4-5,9H2,1H3,(H,19,25)(H,23,26)