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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4F

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4F

InChI

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