2-[[3-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]-N-phenethyl-benzamide

Systemtic Name: 2-[[3-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]-N-phenethyl-benzamide Openeye Name: 2-[(3-isopentyloxybenzoyl)carbamothioylamino]-N-phenethyl-benzamide CAS Name: 2-[[[[[3-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[[3-(3-methylbutoxy)benzoyl]carbamothioylamino]-N-phenethylbenzamide Traditional Name: 2-[(3-isoamoxybenzoyl)thiocarbamoylamino]-N-phenethyl-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=CC=C2C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C28H31N3O3S/c1-20(2)16-18-34-23-12-8-11-22(19-23)26(32)31-28(35)30-25-14-7-6-13-24(25)27(33)29-17-15-21-9-4-3-5-10-21/h3-14,19-20H,15-18H2,1-2H3,(H,29,33)(H2,30,31,32,35)