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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C19H15BrN4O5S2/c1-28-16-7-2-11(8-14(16)20)15-10-31-19(21-15)23-18(30)22-17(25)9-29-13-5-3-12(4-6-13)24(26)27/h2-8,10H,9H2,1H3,(H2,21,22,23,25,30)