N-[(4-benzamidophenyl)carbamothioyl]-5-bromanyl-2-methoxy-3-methyl-benzamide

Systemtic Name: N-[(4-benzamidophenyl)carbamothioyl]-5-bromanyl-2-methoxy-3-methyl-benzamide Openeye Name: N-[(4-benzamidophenyl)carbamothioyl]-5-bromo-2-methoxy-3-methyl-benzamide CAS Name: N-[(4-benzamidoanilino)-sulfanylidenemethyl]-5-bromo-2-methoxy-3-methylbenzamide IUPAC Name: N-[(4-benzamidophenyl)carbamothioyl]-5-bromo-2-methoxy-3-methylbenzamide Traditional Name: N-[(4-benzamidophenyl)thiocarbamoyl]-5-bromo-2-methoxy-3-methyl-benzamide Formula: C23H20BrN3O3S MolecularWeight: 498.3922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C23H20BrN3O3S/c1-14-12-16(24)13-19(20(14)30-2)22(29)27-23(31)26-18-10-8-17(9-11-18)25-21(28)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,25,28)(H2,26,27,29,31)