N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-3-propan-2-yloxy-benzamide

Systemtic Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-3-propan-2-yloxy-benzamide Openeye Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-3-isopropoxy-benzamide CAS Name: N-[[3-[(2,2-dimethyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-3-propan-2-yloxybenzamide Traditional Name: 3-isopropoxy-N-[[3-(pivaloylamino)phenyl]thiocarbamoyl]benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)(C)C

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)(C)C

InChI

InChI=1S/C22H27N3O3S/c1-14(2)28-18-11-6-8-15(12-18)19(26)25-21(29)24-17-10-7-9-16(13-17)23-20(27)22(3,4)5/h6-14H,1-5H3,(H,23,27)(H2,24,25,26,29)