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

Systemtic Name: N-[[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[[4-(3-bromo-4-methoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-2-phenylacetamide Traditional Name: N-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]thiocarbamoyl]-2-phenyl-acetamide Formula: C19H16BrN3O2S2 MolecularWeight: 462.38324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)CC3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)CC3=CC=CC=C3)Br

InChI

InChI=1S/C19H16BrN3O2S2/c1-25-16-8-7-13(10-14(16)20)15-11-27-19(21-15)23-18(26)22-17(24)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H2,21,22,23,24,26)