N-[(4-acetamidophenyl)carbamothioyl]-3-bromanyl-4-tert-butyl-benzamide

Systemtic Name: N-[(4-acetamidophenyl)carbamothioyl]-3-bromanyl-4-tert-butyl-benzamide Openeye Name: N-[(4-acetamidophenyl)carbamothioyl]-3-bromo-4-tert-butyl-benzamide CAS Name: N-[(4-acetamidoanilino)-sulfanylidenemethyl]-3-bromo-4-tert-butylbenzamide IUPAC Name: N-[(4-acetamidophenyl)carbamothioyl]-3-bromo-4-tert-butylbenzamide Traditional Name: N-[(4-acetamidophenyl)thiocarbamoyl]-3-bromo-4-tert-butyl-benzamide Formula: C20H22BrN3O2S MolecularWeight: 448.37658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)C(C)(C)C)Br

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)C(C)(C)C)Br

InChI

InChI=1S/C20H22BrN3O2S/c1-12(25)22-14-6-8-15(9-7-14)23-19(27)24-18(26)13-5-10-16(17(21)11-13)20(2,3)4/h5-11H,1-4H3,(H,22,25)(H2,23,24,26,27)