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

Systemtic Name: N-[[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-N-[[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: N-[[4-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-[[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-phenylmethoxybenzamide Traditional Name: 3-benzoxy-N-[[4-[4-(2-fluorobenzoyl)piperazino]phenyl]thiocarbamoyl]benzamide Formula: C32H29FN4O3S MolecularWeight: 568.661063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)C5=CC=CC=C5F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)C5=CC=CC=C5F

InChI

InChI=1S/C32H29FN4O3S/c33-29-12-5-4-11-28(29)31(39)37-19-17-36(18-20-37)26-15-13-25(14-16-26)34-32(41)35-30(38)24-9-6-10-27(21-24)40-22-23-7-2-1-3-8-23/h1-16,21H,17-20,22H2,(H2,34,35,38,41)