N-[[5-chloranyl-2-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: N-[[5-chloranyl-2-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: N-[[5-chloro-2-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: N-[[5-chloro-2-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: N-[[5-chloro-2-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: N-[[5-chloro-2-[4-(2-fluorobenzoyl)piperazino]phenyl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C27H26ClFN4O3S MolecularWeight: 541.036743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C(=O)C4=CC=CC=C4F

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C(=O)C4=CC=CC=C4F

InChI

InChI=1S/C27H26ClFN4O3S/c1-2-36-20-10-7-18(8-11-20)25(34)31-27(37)30-23-17-19(28)9-12-24(23)32-13-15-33(16-14-32)26(35)21-5-3-4-6-22(21)29/h3-12,17H,2,13-16H2,1H3,(H2,30,31,34,37)