4-tert-butyl-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C28H29N3O2S MolecularWeight: 471.61376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H29N3O2S/c1-17(2)19-11-14-24-23(16-19)30-26(33-24)20-7-6-8-22(15-20)29-27(34)31-25(32)18-9-12-21(13-10-18)28(3,4)5/h6-17H,1-5H3,(H2,29,31,32,34)