3-[(4-chlorophenyl)sulfanylmethyl]-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-1-benzofuran-2-carboxamide

Systemtic Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-1-benzofuran-2-carboxamide Openeye Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]benzofuran-2-carboxamide CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-2-benzofurancarboxamide IUPAC Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-1-benzofuran-2-carboxamide Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]-N-[6-(3-ketopiperazino)-3-pyridyl]coumarilamide Formula: C25H21ClN4O3S MolecularWeight: 492.97724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4O3)CSC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4O3)CSC5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H21ClN4O3S/c26-16-5-8-18(9-6-16)34-15-20-19-3-1-2-4-21(19)33-24(20)25(32)29-17-7-10-22(28-13-17)30-12-11-27-23(31)14-30/h1-10,13H,11-12,14-15H2,(H,27,31)(H,29,32)