N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: N-[(3-isobutoxyphenyl)carbamothioyl]-4-phenethyloxy-benzamide CAS Name: N-[[3-(2-methylpropoxy)anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: N-[(3-isobutoxyphenyl)thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C26H28N2O3S/c1-19(2)18-31-24-10-6-9-22(17-24)27-26(32)28-25(29)21-11-13-23(14-12-21)30-16-15-20-7-4-3-5-8-20/h3-14,17,19H,15-16,18H2,1-2H3,(H2,27,28,29,32)