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

Systemtic Name: N-[(5-bromanylpyridin-2-yl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(5-bromo-2-pyridyl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[(5-bromo-2-pyridinyl)amino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(5-bromopyridin-2-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(5-bromo-2-pyridyl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C18H18BrN5O3S MolecularWeight: 464.33622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=NC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=NC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H18BrN5O3S/c19-13-5-7-16(20-11-13)21-18(28)22-17(25)12-4-6-14(15(10-12)24(26)27)23-8-2-1-3-9-23/h4-7,10-11H,1-3,8-9H2,(H2,20,21,22,25,28)