2-[methyl-[[3-(3-methylbutoxy)phenyl]carbonylcarbamothioyl]amino]-N-(phenylmethyl)benzamide

Systemtic Name: 2-[methyl-[[3-(3-methylbutoxy)phenyl]carbonylcarbamothioyl]amino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[(3-isopentyloxybenzoyl)carbamothioyl-methyl-amino]benzamide CAS Name: 2-[methyl-[[[[3-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[methyl-[[3-(3-methylbutoxy)benzoyl]carbamothioyl]amino]benzamide Traditional Name: N-benzyl-2-[(3-isoamoxybenzoyl)thiocarbamoyl-methyl-amino]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)N(C)C2=CC=CC=C2C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCC3=CC=CC=C3

InChI

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