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

Systemtic Name: N-[[4-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: N-[[4-[4-(benzofuran-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide CAS Name: N-[[4-[4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[[4-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: N-[[4-[4-(benzofuran-2-carbonyl)piperazino]phenyl]thiocarbamoyl]-2-naphthamide Formula: C31H26N4O3S MolecularWeight: 534.62814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3)C(=O)C5=CC6=CC=CC=C6O5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3)C(=O)C5=CC6=CC=CC=C6O5

InChI

InChI=1S/C31H26N4O3S/c36-29(24-10-9-21-5-1-2-6-22(21)19-24)33-31(39)32-25-11-13-26(14-12-25)34-15-17-35(18-16-34)30(37)28-20-23-7-3-4-8-27(23)38-28/h1-14,19-20H,15-18H2,(H2,32,33,36,39)