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

Systemtic Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide Openeye Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(3-oxopiperazin-1-yl)phenyl]benzofuran-2-carboxamide CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-N-[4-(3-oxo-1-piperazinyl)phenyl]-2-benzofurancarboxamide IUPAC Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(3-oxopiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]-N-[4-(3-ketopiperazino)phenyl]coumarilamide Formula: C26H22ClN3O3S MolecularWeight: 491.98918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22ClN3O3S/c27-17-5-11-20(12-6-17)34-16-22-21-3-1-2-4-23(21)33-25(22)26(32)29-18-7-9-19(10-8-18)30-14-13-28-24(31)15-30/h1-12H,13-16H2,(H,28,31)(H,29,32)