N-(3,4-dimethylphenyl)-2-[[4-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]benzamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-[[4-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]benzamide Openeye Name: N-(3,4-dimethylphenyl)-2-[(4-isopentyloxybenzoyl)carbamothioylamino]benzamide CAS Name: N-(3,4-dimethylphenyl)-2-[[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[[4-(3-methylbutoxy)benzoyl]carbamothioylamino]benzamide Traditional Name: N-(3,4-dimethylphenyl)-2-[(4-isoamoxybenzoyl)thiocarbamoylamino]benzamide Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)OCCC(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)OCCC(C)C)C

InChI

InChI=1S/C28H31N3O3S/c1-18(2)15-16-34-23-13-10-21(11-14-23)26(32)31-28(35)30-25-8-6-5-7-24(25)27(33)29-22-12-9-19(3)20(4)17-22/h5-14,17-18H,15-16H2,1-4H3,(H,29,33)(H2,30,31,32,35)