4-tert-butyl-N-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[4-[oxo-(1-phenylethylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[4-(1-phenylethylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O2S/c1-18(19-8-6-5-7-9-19)28-24(31)21-12-16-23(17-13-21)29-26(33)30-25(32)20-10-14-22(15-11-20)27(2,3)4/h5-18H,1-4H3,(H,28,31)(H2,29,30,32,33)