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

Systemtic Name: N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: N-[(3-isopentyloxyphenyl)carbamothioyl]-2-phenethyloxy-benzamide CAS Name: N-[[3-(3-methylbutoxy)anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: N-[(3-isoamoxyphenyl)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C27H30N2O3S MolecularWeight: 462.6037

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2OCCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2OCCC3=CC=CC=C3

InChI

InChI=1S/C27H30N2O3S/c1-20(2)15-17-31-23-12-8-11-22(19-23)28-27(33)29-26(30)24-13-6-7-14-25(24)32-18-16-21-9-4-3-5-10-21/h3-14,19-20H,15-18H2,1-2H3,(H2,28,29,30,33)