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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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