3-bromanyl-4-methoxy-N-[(4-phenoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-methoxy-N-[(4-phenoxyphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-methoxy-N-[(4-phenoxyphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-methoxy-N-[(4-phenoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methoxy-N-[(4-phenoxyphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-methoxy-N-[(4-phenoxyphenyl)thiocarbamoyl]benzamide Formula: C21H17BrN2O3S MolecularWeight: 457.34028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3)Br

InChI

InChI=1S/C21H17BrN2O3S/c1-26-19-12-7-14(13-18(19)22)20(25)24-21(28)23-15-8-10-17(11-9-15)27-16-5-3-2-4-6-16/h2-13H,1H3,(H2,23,24,25,28)