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

Systemtic Name: 3-bromanyl-N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[[2-[(3,4-dimethylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]thiocarbamoyl]-4-isoamoxy-benzamide Formula: C28H30BrN3O3S MolecularWeight: 568.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC(C)C)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC(C)C)Br)C

InChI

InChI=1S/C28H30BrN3O3S/c1-17(2)13-14-35-25-12-10-20(16-23(25)29)26(33)32-28(36)31-24-8-6-5-7-22(24)27(34)30-21-11-9-18(3)19(4)15-21/h5-12,15-17H,13-14H2,1-4H3,(H,30,34)(H2,31,32,33,36)