N-[(5-bromanylpyridin-2-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[(5-bromanylpyridin-2-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(5-bromo-2-pyridyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[(5-bromo-2-pyridinyl)amino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(5-bromopyridin-2-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(5-bromo-2-pyridyl)thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C17H16BrN5O3S MolecularWeight: 450.30964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=NC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=NC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H16BrN5O3S/c18-12-4-6-15(19-10-12)20-17(27)21-16(24)11-3-5-13(14(9-11)23(25)26)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8H2,(H2,19,20,21,24,27)