N-[[4-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2-(3-methylphenoxy)ethanamide

Systemtic Name: N-[[4-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2-(3-methylphenoxy)ethanamide Openeye Name: N-[[4-[4-(benzofuran-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide CAS Name: N-[[4-[4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-(3-methylphenoxy)acetamide IUPAC Name: N-[[4-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide Traditional Name: N-[[4-[4-(benzofuran-2-carbonyl)piperazino]phenyl]thiocarbamoyl]-2-(3-methylphenoxy)acetamide Formula: C29H28N4O4S MolecularWeight: 528.62202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C29H28N4O4S/c1-20-5-4-7-24(17-20)36-19-27(34)31-29(38)30-22-9-11-23(12-10-22)32-13-15-33(16-14-32)28(35)26-18-21-6-2-3-8-25(21)37-26/h2-12,17-18H,13-16,19H2,1H3,(H2,30,31,34,38)