N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[3-[(2,2-dimethyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: 3,4,5-trimethoxy-N-[[3-(pivaloylamino)phenyl]thiocarbamoyl]benzamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C22H27N3O5S/c1-22(2,3)20(27)23-14-8-7-9-15(12-14)24-21(31)25-19(26)13-10-16(28-4)18(30-6)17(11-13)29-5/h7-12H,1-6H3,(H,23,27)(H2,24,25,26,31)