N-[(2-bromanyl-4-methyl-phenyl)carbamothioyl]-4-(4-tert-butylphenoxy)butanamide

Systemtic Name: N-[(2-bromanyl-4-methyl-phenyl)carbamothioyl]-4-(4-tert-butylphenoxy)butanamide Openeye Name: N-[(2-bromo-4-methyl-phenyl)carbamothioyl]-4-(4-tert-butylphenoxy)butanamide CAS Name: N-[(2-bromo-4-methylanilino)-sulfanylidenemethyl]-4-(4-tert-butylphenoxy)butanamide IUPAC Name: N-[(2-bromo-4-methylphenyl)carbamothioyl]-4-(4-tert-butylphenoxy)butanamide Traditional Name: N-[(2-bromo-4-methyl-phenyl)thiocarbamoyl]-4-(4-tert-butylphenoxy)butyramide Formula: C22H27BrN2O2S MolecularWeight: 463.43098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC(=O)CCCOC2=CC=C(C=C2)C(C)(C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC(=O)CCCOC2=CC=C(C=C2)C(C)(C)C)Br

InChI

InChI=1S/C22H27BrN2O2S/c1-15-7-12-19(18(23)14-15)24-21(28)25-20(26)6-5-13-27-17-10-8-16(9-11-17)22(2,3)4/h7-12,14H,5-6,13H2,1-4H3,(H2,24,25,26,28)