N-[[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]carbamothioyl]-2-chloranyl-5-nitro-benzamide

Systemtic Name: N-[[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]carbamothioyl]-2-chloranyl-5-nitro-benzamide Openeye Name: N-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]carbamothioyl]-2-chloro-5-nitro-benzamide CAS Name: N-[[[4-(3-bromo-4-methoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-2-chloro-5-nitrobenzamide IUPAC Name: N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-2-chloro-5-nitrobenzamide Traditional Name: N-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]thiocarbamoyl]-2-chloro-5-nitro-benzamide Formula: C18H12BrClN4O4S2 MolecularWeight: 527.79928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)Br

InChI

InChI=1S/C18H12BrClN4O4S2/c1-28-15-5-2-9(6-12(15)19)14-8-30-18(21-14)23-17(29)22-16(25)11-7-10(24(26)27)3-4-13(11)20/h2-8H,1H3,(H2,21,22,23,25,29)