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

Systemtic Name: N-[(4-acetamidophenyl)carbamothioyl]-5-bromanyl-2-methoxy-3-methyl-benzamide Openeye Name: N-[(4-acetamidophenyl)carbamothioyl]-5-bromo-2-methoxy-3-methyl-benzamide CAS Name: N-[(4-acetamidoanilino)-sulfanylidenemethyl]-5-bromo-2-methoxy-3-methylbenzamide IUPAC Name: N-[(4-acetamidophenyl)carbamothioyl]-5-bromo-2-methoxy-3-methylbenzamide Traditional Name: N-[(4-acetamidophenyl)thiocarbamoyl]-5-bromo-2-methoxy-3-methyl-benzamide Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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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)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O3S/c1-10-8-12(19)9-15(16(10)25-3)17(24)22-18(26)21-14-6-4-13(5-7-14)20-11(2)23/h4-9H,1-3H3,(H,20,23)(H2,21,22,24,26)