3-[[3-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]-N-(3-methylphenyl)benzamide

Systemtic Name: 3-[[3-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]-N-(3-methylphenyl)benzamide Openeye Name: 3-[(3-isopentyloxybenzoyl)carbamothioylamino]-N-(m-tolyl)benzamide CAS Name: 3-[[[[[3-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(3-methylphenyl)benzamide IUPAC Name: 3-[[3-(3-methylbutoxy)benzoyl]carbamothioylamino]-N-(3-methylphenyl)benzamide Traditional Name: 3-[(3-isoamoxybenzoyl)thiocarbamoylamino]-N-(m-tolyl)benzamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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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(=CC=C3)OCCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O3S/c1-18(2)13-14-33-24-12-6-9-21(17-24)26(32)30-27(34)29-23-11-5-8-20(16-23)25(31)28-22-10-4-7-19(3)15-22/h4-12,15-18H,13-14H2,1-3H3,(H,28,31)(H2,29,30,32,34)