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

Systemtic Name: 2-(3-methylbutoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide Openeye Name: 2-isopentyloxy-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide CAS Name: 2-(3-methylbutoxy)-N-[sulfanylidene-(2,4,6-trimethylanilino)methyl]benzamide IUPAC Name: 2-(3-methylbutoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide Traditional Name: 2-isoamoxy-N-(mesitylthiocarbamoyl)benzamide Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=S)NC(=O)C2=CC=CC=C2OCCC(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=S)NC(=O)C2=CC=CC=C2OCCC(C)C)C

InChI

InChI=1S/C22H28N2O2S/c1-14(2)10-11-26-19-9-7-6-8-18(19)21(25)24-22(27)23-20-16(4)12-15(3)13-17(20)5/h6-9,12-14H,10-11H2,1-5H3,(H2,23,24,25,27)