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

Systemtic Name: N-[(3-bromanyl-4-methoxy-phenyl)carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[(3-bromo-4-methoxy-phenyl)carbamothioyl]-4-phenyl-benzamide CAS Name: N-[(3-bromo-4-methoxyanilino)-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[(3-bromo-4-methoxyphenyl)carbamothioyl]-4-phenylbenzamide Traditional Name: N-[(3-bromo-4-methoxy-phenyl)thiocarbamoyl]-4-phenyl-benzamide Formula: C21H17BrN2O2S MolecularWeight: 441.34088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN2O2S/c1-26-19-12-11-17(13-18(19)22)23-21(27)24-20(25)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3,(H2,23,24,25,27)