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

Systemtic Name: N-[[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[4-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[[4-[4-(2-fluorobenzoyl)piperazino]phenyl]thiocarbamoyl]-4-isopropyl-benzamide Formula: C28H29FN4O2S MolecularWeight: 504.618863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29FN4O2S/c1-19(2)20-7-9-21(10-8-20)26(34)31-28(36)30-22-11-13-23(14-12-22)32-15-17-33(18-16-32)27(35)24-5-3-4-6-25(24)29/h3-14,19H,15-18H2,1-2H3,(H2,30,31,34,36)