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

Systemtic Name: N-[[2-bromanyl-4,6-bis(fluoranyl)phenyl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(2-bromo-4,6-difluoro-phenyl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(2-bromo-4,6-difluoroanilino)-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(2-bromo-4,6-difluorophenyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(2-bromo-4,6-difluoro-phenyl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C19H17BrF2N4O3S MolecularWeight: 499.329086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C=C(C=C3Br)F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C=C(C=C3Br)F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H17BrF2N4O3S/c20-13-9-12(21)10-14(22)17(13)23-19(30)24-18(27)11-4-5-15(16(8-11)26(28)29)25-6-2-1-3-7-25/h4-5,8-10H,1-3,6-7H2,(H2,23,24,27,30)