N-[(3-bromophenyl)carbamothioyl]-4-(4-tert-butylphenoxy)butanamide

Systemtic Name: N-[(3-bromophenyl)carbamothioyl]-4-(4-tert-butylphenoxy)butanamide Openeye Name: N-[(3-bromophenyl)carbamothioyl]-4-(4-tert-butylphenoxy)butanamide CAS Name: N-[(3-bromoanilino)-sulfanylidenemethyl]-4-(4-tert-butylphenoxy)butanamide IUPAC Name: N-[(3-bromophenyl)carbamothioyl]-4-(4-tert-butylphenoxy)butanamide Traditional Name: N-[(3-bromophenyl)thiocarbamoyl]-4-(4-tert-butylphenoxy)butyramide Formula: C21H25BrN2O2S MolecularWeight: 449.4044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC(=S)NC2=CC(=CC=C2)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC(=S)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C21H25BrN2O2S/c1-21(2,3)15-9-11-18(12-10-15)26-13-5-8-19(25)24-20(27)23-17-7-4-6-16(22)14-17/h4,6-7,9-12,14H,5,8,13H2,1-3H3,(H2,23,24,25,27)