N-[[4-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide

Systemtic Name: N-[[4-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide Openeye Name: N-[[4-[4-(benzofuran-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide CAS Name: N-[[4-[4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[4-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide Traditional Name: N-[[4-[4-(benzofuran-2-carbonyl)piperazino]phenyl]thiocarbamoyl]valeramide Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C25H28N4O3S/c1-2-3-8-23(30)27-25(33)26-19-9-11-20(12-10-19)28-13-15-29(16-14-28)24(31)22-17-18-6-4-5-7-21(18)32-22/h4-7,9-12,17H,2-3,8,13-16H2,1H3,(H2,26,27,30,33)