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

Systemtic Name: 3-(3-methylbutoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide Openeye Name: 3-isopentyloxy-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide CAS Name: 3-(3-methylbutoxy)-N-[sulfanylidene-(2,4,6-trimethylanilino)methyl]benzamide IUPAC Name: 3-(3-methylbutoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide Traditional Name: 3-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=C2)OCCC(C)C)C

Isomeric SMILES

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

InChI

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