N-[[2-bromanyl-4,6-bis(fluoranyl)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[[2-bromanyl-4,6-bis(fluoranyl)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(2-bromo-4,6-difluoro-phenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(2-bromo-4,6-difluoroanilino)-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(2-bromo-4,6-difluorophenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(2-bromo-4,6-difluoro-phenyl)thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C18H15BrF2N4O3S MolecularWeight: 485.302506

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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=C(C=C3Br)F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C=C(C=C3Br)F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H15BrF2N4O3S/c19-12-8-11(20)9-13(21)16(12)22-18(29)23-17(26)10-3-4-14(15(7-10)25(27)28)24-5-1-2-6-24/h3-4,7-9H,1-2,5-6H2,(H2,22,23,26,29)