3-butoxy-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCCC3=CC=CC=C3

InChI

InChI=1S/C27H30N2O3S/c1-2-3-17-31-24-15-7-13-22(19-24)26(30)29-27(33)28-23-14-8-16-25(20-23)32-18-9-12-21-10-5-4-6-11-21/h4-8,10-11,13-16,19-20H,2-3,9,12,17-18H2,1H3,(H2,28,29,30,33)