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

Systemtic Name: N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: N-[(4-isopentyloxyphenyl)carbamothioyl]-2-phenethyloxy-benzamide CAS Name: N-[[4-(3-methylbutoxy)anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: N-[(4-isoamoxyphenyl)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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