N-[[4-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[[4-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[4-[4-(benzofuran-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[4-[4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[[4-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[[4-[4-(benzofuran-2-carbonyl)piperazino]phenyl]thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C32H32N6O5S MolecularWeight: 612.69868

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C5=CC6=CC=CC=C6O5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C5=CC6=CC=CC=C6O5)[N+](=O)[O-]

InChI

InChI=1S/C32H32N6O5S/c39-30(23-8-13-26(27(20-23)38(41)42)36-14-4-1-5-15-36)34-32(44)33-24-9-11-25(12-10-24)35-16-18-37(19-17-35)31(40)29-21-22-6-2-3-7-28(22)43-29/h2-3,6-13,20-21H,1,4-5,14-19H2,(H2,33,34,39,44)