3-bromanyl-4-(3-methylbutoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[sulfanylidene-(2,4,6-trimethylanilino)methyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-isoamoxy-N-(mesitylthiocarbamoyl)benzamide Formula: C22H27BrN2O2S MolecularWeight: 463.43098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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