2-(3-methylbutoxy)-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-(3-methylbutoxy)-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 2-isopentyloxy-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 2-(3-methylbutoxy)-N-[[3-[oxo-(1-phenylethylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-(3-methylbutoxy)-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 2-isoamoxy-N-[[3-(1-phenylethylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC(C)C3=CC=CC=C3

InChI

InChI=1S/C28H31N3O3S/c1-19(2)16-17-34-25-15-8-7-14-24(25)27(33)31-28(35)30-23-13-9-12-22(18-23)26(32)29-20(3)21-10-5-4-6-11-21/h4-15,18-20H,16-17H2,1-3H3,(H,29,32)(H2,30,31,33,35)