3-[[4-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]-N-(1-phenylethyl)benzamide

Systemtic Name: 3-[[4-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]-N-(1-phenylethyl)benzamide Openeye Name: 3-[(4-isopentyloxybenzoyl)carbamothioylamino]-N-(1-phenylethyl)benzamide CAS Name: 3-[[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(1-phenylethyl)benzamide IUPAC Name: 3-[[4-(3-methylbutoxy)benzoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide Traditional Name: 3-[(4-isoamoxybenzoyl)thiocarbamoylamino]-N-(1-phenylethyl)benzamide Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC(C)C3=CC=CC=C3

InChI

InChI=1S/C28H31N3O3S/c1-19(2)16-17-34-25-14-12-22(13-15-25)26(32)31-28(35)30-24-11-7-10-23(18-24)27(33)29-20(3)21-8-5-4-6-9-21/h4-15,18-20H,16-17H2,1-3H3,(H,29,33)(H2,30,31,32,35)