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

Systemtic Name: N-[[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[[4-(3-bromo-4-methoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]thiocarbamoyl]-4-propoxy-benzamide Formula: C21H20BrN3O3S2 MolecularWeight: 506.4358

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C21H20BrN3O3S2/c1-3-10-28-15-7-4-13(5-8-15)19(26)24-20(29)25-21-23-17(12-30-21)14-6-9-18(27-2)16(22)11-14/h4-9,11-12H,3,10H2,1-2H3,(H2,23,24,25,26,29)