3-(3-methylbutoxy)-N-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-(3-methylbutoxy)-N-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-isopentyloxy-N-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-(3-methylbutoxy)-N-[[4-[oxo-(1-phenylethylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-(3-methylbutoxy)-N-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-isoamoxy-N-[[4-(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(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NC(C)C3=CC=CC=C3

InChI

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