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

Systemtic Name: 4-(2-methylpropoxy)-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Openeye Name: 4-isobutoxy-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide CAS Name: 4-(2-methylpropoxy)-N-[[2-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-(2-methylpropoxy)-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Traditional Name: 4-isobutoxy-N-[[2-(3-phenylpropoxy)phenyl]thiocarbamoyl]benzamide Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2OCCCC3=CC=CC=C3

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2OCCCC3=CC=CC=C3

InChI

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