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

Systemtic Name: N-(3,4-dimethylphenyl)-2-[[4-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]benzamide Openeye Name: N-(3,4-dimethylphenyl)-2-[(4-isobutoxybenzoyl)carbamothioylamino]benzamide CAS Name: N-(3,4-dimethylphenyl)-2-[[[[[4-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[[4-(2-methylpropoxy)benzoyl]carbamothioylamino]benzamide Traditional Name: N-(3,4-dimethylphenyl)-2-[(4-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=C(C=C3)OCC(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)OCC(C)C)C

InChI

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