3-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]-N-(phenylmethyl)benzamide

Systemtic Name: 3-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-[(3-isobutoxybenzoyl)carbamothioylamino]benzamide CAS Name: 3-[[[[[3-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]benzamide Traditional Name: N-benzyl-3-[(3-isobutoxybenzoyl)thiocarbamoylamino]benzamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O3S/c1-18(2)17-32-23-13-7-11-21(15-23)25(31)29-26(33)28-22-12-6-10-20(14-22)24(30)27-16-19-8-4-3-5-9-19/h3-15,18H,16-17H2,1-2H3,(H,27,30)(H2,28,29,31,33)