N-[[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3,4-dimethoxy-benzamide CAS Name: N-[[4-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3,4-dimethoxybenzamide Traditional Name: N-[[4-[4-(2-fluorobenzoyl)piperazino]phenyl]thiocarbamoyl]-3,4-dimethoxy-benzamide Formula: C27H27FN4O4S MolecularWeight: 522.591083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27FN4O4S/c1-35-23-12-7-18(17-24(23)36-2)25(33)30-27(37)29-19-8-10-20(11-9-19)31-13-15-32(16-14-31)26(34)21-5-3-4-6-22(21)28/h3-12,17H,13-16H2,1-2H3,(H2,29,30,33,37)