N-[[5-chloranyl-2-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[[5-chloranyl-2-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[5-chloro-2-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[5-chloro-2-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[5-chloro-2-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[[5-chloro-2-[4-(2-fluorobenzoyl)piperazino]phenyl]thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C29H28ClFN6O4S MolecularWeight: 611.086823

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C=CC(=C3)Cl)N4CCN(CC4)C(=O)C5=CC=CC=C5F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C=CC(=C3)Cl)N4CCN(CC4)C(=O)C5=CC=CC=C5F)[N+](=O)[O-]

InChI

InChI=1S/C29H28ClFN6O4S/c30-20-8-10-24(35-13-15-36(16-14-35)28(39)21-5-1-2-6-22(21)31)23(18-20)32-29(42)33-27(38)19-7-9-25(26(17-19)37(40)41)34-11-3-4-12-34/h1-2,5-10,17-18H,3-4,11-16H2,(H2,32,33,38,42)