N-[(4-bromanyl-2-iodanyl-phenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[(4-bromanyl-2-iodanyl-phenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(4-bromo-2-iodo-phenyl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(4-bromo-2-iodoanilino)-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(4-bromo-2-iodophenyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(4-bromo-2-iodo-phenyl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C19H18BrIN4O3S MolecularWeight: 589.24469

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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=C3)Br)I)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrIN4O3S/c20-13-5-6-15(14(21)11-13)22-19(29)23-18(26)12-4-7-16(17(10-12)25(27)28)24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9H2,(H2,22,23,26,29)