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

Systemtic Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-3-phenethyloxy-benzamide Openeye Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-3-phenethyloxy-benzamide CAS Name: N-[[3-[(2,2-dimethyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-3-phenethyloxybenzamide Traditional Name: 3-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=C2)OCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

InChI

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