3-bromanyl-N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide

Systemtic Name: 3-bromanyl-N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[(2-ethyl-6-methylphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[(2-ethyl-6-methyl-phenyl)thiocarbamoyl]-4-isoamoxy-benzamide Formula: C22H27BrN2O2S MolecularWeight: 463.43098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC(C)C)Br)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC(C)C)Br)C

InChI

InChI=1S/C22H27BrN2O2S/c1-5-16-8-6-7-15(4)20(16)24-22(28)25-21(26)17-9-10-19(18(23)13-17)27-12-11-14(2)3/h6-10,13-14H,5,11-12H2,1-4H3,(H2,24,25,26,28)