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

Systemtic Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: N-[[3-[(2,2-dimethyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 2-phenethyloxy-N-[[3-(pivaloylamino)phenyl]thiocarbamoyl]benzamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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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=CC=C2OCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=CC=C2OCCC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O3S/c1-27(2,3)25(32)28-20-12-9-13-21(18-20)29-26(34)30-24(31)22-14-7-8-15-23(22)33-17-16-19-10-5-4-6-11-19/h4-15,18H,16-17H2,1-3H3,(H,28,32)(H2,29,30,31,34)