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

Systemtic Name: 4-tert-butyl-N-[3-(3-phenylpropanoylcarbamothioylamino)phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-(3-phenylpropanoylcarbamothioylamino)phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-(3-phenylpropanoylcarbamothioylamino)phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-(hydrocinnamoylthiocarbamoylamino)phenyl]benzamide Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O2S/c1-27(2,3)21-15-13-20(14-16-21)25(32)28-22-10-7-11-23(18-22)29-26(33)30-24(31)17-12-19-8-5-4-6-9-19/h4-11,13-16,18H,12,17H2,1-3H3,(H,28,32)(H2,29,30,31,33)