3-bromanyl-4-tert-butyl-N-[[4-[ethanoyl(methyl)amino]phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-tert-butyl-N-[[4-[ethanoyl(methyl)amino]phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-3-bromo-4-tert-butyl-benzamide CAS Name: N-[[4-[acetyl(methyl)amino]anilino]-sulfanylidenemethyl]-3-bromo-4-tert-butylbenzamide IUPAC Name: N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-3-bromo-4-tert-butylbenzamide Traditional Name: N-[[4-[acetyl(methyl)amino]phenyl]thiocarbamoyl]-3-bromo-4-tert-butyl-benzamide Formula: C21H24BrN3O2S MolecularWeight: 462.40316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O2S/c1-13(26)25(5)16-9-7-15(8-10-16)23-20(28)24-19(27)14-6-11-17(18(22)12-14)21(2,3)4/h6-12H,1-5H3,(H2,23,24,27,28)