N-[[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-methoxy-benzamide

Systemtic Name: N-[[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: N-[[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methoxy-benzamide CAS Name: N-[[4-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methoxybenzamide Traditional Name: N-[[4-[4-(2-fluorobenzoyl)piperazino]phenyl]thiocarbamoyl]-4-methoxy-benzamide Formula: C26H25FN4O3S MolecularWeight: 492.565103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4F

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4F

InChI

InChI=1S/C26H25FN4O3S/c1-34-21-12-6-18(7-13-21)24(32)29-26(35)28-19-8-10-20(11-9-19)30-14-16-31(17-15-30)25(33)22-4-2-3-5-23(22)27/h2-13H,14-17H2,1H3,(H2,28,29,32,35)