3-bromanyl-N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[2-[(3,4-dimethylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C26H26BrN3O3S MolecularWeight: 540.47194

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)C)C)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)C)C)Br

InChI

InChI=1S/C26H26BrN3O3S/c1-4-13-33-23-12-10-18(15-21(23)27)24(31)30-26(34)29-22-8-6-5-7-20(22)25(32)28-19-11-9-16(2)17(3)14-19/h5-12,14-15H,4,13H2,1-3H3,(H,28,32)(H2,29,30,31,34)