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

Systemtic Name: N-[[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-ethoxy-benzamide Openeye Name: N-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]carbamothioyl]-3-ethoxy-benzamide CAS Name: N-[[[4-(3-bromo-4-methoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-3-ethoxybenzamide IUPAC Name: N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-ethoxybenzamide Traditional Name: N-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]thiocarbamoyl]-3-ethoxy-benzamide Formula: C20H18BrN3O3S2 MolecularWeight: 492.40922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C20H18BrN3O3S2/c1-3-27-14-6-4-5-13(9-14)18(25)23-19(28)24-20-22-16(11-29-20)12-7-8-17(26-2)15(21)10-12/h4-11H,3H2,1-2H3,(H2,22,23,24,25,28)