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

Systemtic Name: 2-[[2-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]-N-phenethyl-benzamide Openeye Name: 2-[(2-isopentyloxybenzoyl)carbamothioylamino]-N-phenethyl-benzamide CAS Name: 2-[[[[[2-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[[2-(3-methylbutoxy)benzoyl]carbamothioylamino]-N-phenethylbenzamide Traditional Name: 2-[(2-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=C1C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

InChI

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