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

Systemtic Name: N-[[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[[4-(3-bromo-4-methoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]thiocarbamoyl]thiophene-2-carboxamide Formula: C16H12BrN3O2S3 MolecularWeight: 454.38438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC=CS3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC=CS3)Br

InChI

InChI=1S/C16H12BrN3O2S3/c1-22-12-5-4-9(7-10(12)17)11-8-25-16(18-11)20-15(23)19-14(21)13-3-2-6-24-13/h2-8H,1H3,(H2,18,19,20,21,23)