N-[[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide

Systemtic Name: N-[[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: N-[[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide CAS Name: N-[[4-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: N-[[4-[4-(2-fluorobenzoyl)piperazino]phenyl]thiocarbamoyl]-2-naphthamide Formula: C29H25FN4O2S MolecularWeight: 512.597803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3)C(=O)C5=CC=CC=C5F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3)C(=O)C5=CC=CC=C5F

InChI

InChI=1S/C29H25FN4O2S/c30-26-8-4-3-7-25(26)28(36)34-17-15-33(16-18-34)24-13-11-23(12-14-24)31-29(37)32-27(35)22-10-9-20-5-1-2-6-21(20)19-22/h1-14,19H,15-18H2,(H2,31,32,35,37)