N-(3-methylphenyl)-3-[[4-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]benzamide

Systemtic Name: N-(3-methylphenyl)-3-[[4-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]benzamide Openeye Name: 3-[(4-isobutoxybenzoyl)carbamothioylamino]-N-(m-tolyl)benzamide CAS Name: N-(3-methylphenyl)-3-[[[[[4-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-methylphenyl)-3-[[4-(2-methylpropoxy)benzoyl]carbamothioylamino]benzamide Traditional Name: 3-[(4-isobutoxybenzoyl)thiocarbamoylamino]-N-(m-tolyl)benzamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=C(C=C3)OCC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=C(C=C3)OCC(C)C

InChI

InChI=1S/C26H27N3O3S/c1-17(2)16-32-23-12-10-19(11-13-23)24(30)29-26(33)28-22-9-5-7-20(15-22)25(31)27-21-8-4-6-18(3)14-21/h4-15,17H,16H2,1-3H3,(H,27,31)(H2,28,29,30,33)