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

Systemtic Name: N-[[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]carbamothioyl]benzamide CAS Name: N-[[[4-(3-bromo-4-methoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]thiocarbamoyl]benzamide Formula: C25H20BrN3O3S2 MolecularWeight: 554.4786

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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=C(C=C3)OCC4=CC=CC=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)Br

InChI

InChI=1S/C25H20BrN3O3S2/c1-31-22-12-9-18(13-20(22)26)21-15-34-25(27-21)29-24(33)28-23(30)17-7-10-19(11-8-17)32-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H2,27,28,29,30,33)