N-[[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[[4-(3-bromo-4-methoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C19H15BrN4O5S2 MolecularWeight: 523.3802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H15BrN4O5S2/c1-28-15-5-3-10(7-12(15)20)13-9-31-19(21-13)23-18(30)22-17(25)11-4-6-16(29-2)14(8-11)24(26)27/h3-9H,1-2H3,(H2,21,22,23,25,30)