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

Systemtic Name: N-(3,4-dimethylphenyl)-2-[[2-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]benzamide Openeye Name: N-(3,4-dimethylphenyl)-2-[(2-isobutoxybenzoyl)carbamothioylamino]benzamide CAS Name: N-(3,4-dimethylphenyl)-2-[[[[[2-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[[2-(2-methylpropoxy)benzoyl]carbamothioylamino]benzamide Traditional Name: N-(3,4-dimethylphenyl)-2-[(2-isobutoxybenzoyl)thiocarbamoylamino]benzamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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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=CC=C3OCC(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CC=C3OCC(C)C)C

InChI

InChI=1S/C27H29N3O3S/c1-17(2)16-33-24-12-8-6-10-22(24)26(32)30-27(34)29-23-11-7-5-9-21(23)25(31)28-20-14-13-18(3)19(4)15-20/h5-15,17H,16H2,1-4H3,(H,28,31)(H2,29,30,32,34)