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

Systemtic Name: 3-bromanyl-4-methoxy-N-[(4-phenylazanylphenyl)carbamothioyl]benzamide Openeye Name: N-[(4-anilinophenyl)carbamothioyl]-3-bromo-4-methoxy-benzamide CAS Name: N-[(4-anilinoanilino)-sulfanylidenemethyl]-3-bromo-4-methoxybenzamide IUPAC Name: N-[(4-anilinophenyl)carbamothioyl]-3-bromo-4-methoxybenzamide Traditional Name: N-[(4-anilinophenyl)thiocarbamoyl]-3-bromo-4-methoxy-benzamide Formula: C21H18BrN3O2S MolecularWeight: 456.35552

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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)NC3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3)Br

InChI

InChI=1S/C21H18BrN3O2S/c1-27-19-12-7-14(13-18(19)22)20(26)25-21(28)24-17-10-8-16(9-11-17)23-15-5-3-2-4-6-15/h2-13,23H,1H3,(H2,24,25,26,28)