3-bromanyl-N-[ethyl(phenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide

Systemtic Name: 3-bromanyl-N-[ethyl(phenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[ethyl(phenyl)carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[(N-ethylanilino)-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[ethyl(phenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[ethyl(phenyl)thiocarbamoyl]-4-isoamoxy-benzamide Formula: C21H25BrN2O2S MolecularWeight: 449.4044

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=S)NC(=O)C2=CC(=C(C=C2)OCCC(C)C)Br

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=S)NC(=O)C2=CC(=C(C=C2)OCCC(C)C)Br

InChI

InChI=1S/C21H25BrN2O2S/c1-4-24(17-8-6-5-7-9-17)21(27)23-20(25)16-10-11-19(18(22)14-16)26-13-12-15(2)3/h5-11,14-15H,4,12-13H2,1-3H3,(H,23,25,27)