4-tert-butyl-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[3-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[3-(3-phenylpropoxy)phenyl]thiocarbamoyl]benzamide Formula: C27H30N2O2S MolecularWeight: 446.6043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O2S/c1-27(2,3)22-16-14-21(15-17-22)25(30)29-26(32)28-23-12-7-13-24(19-23)31-18-8-11-20-9-5-4-6-10-20/h4-7,9-10,12-17,19H,8,11,18H2,1-3H3,(H2,28,29,30,32)