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

Systemtic Name: N-[(4-bromanyl-2-iodanyl-phenyl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(4-bromo-2-iodo-phenyl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[(4-bromo-2-iodoanilino)-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(4-bromo-2-iodophenyl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(4-bromo-2-iodo-phenyl)thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C18H16BrIN4O4S MolecularWeight: 591.21751

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)Br)I)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)Br)I)[N+](=O)[O-]

InChI

InChI=1S/C18H16BrIN4O4S/c19-12-2-3-14(13(20)10-12)21-18(29)22-17(25)11-1-4-15(16(9-11)24(26)27)23-5-7-28-8-6-23/h1-4,9-10H,5-8H2,(H2,21,22,25,29)