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

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-tert-butyl-benzamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-tert-butyl-benzamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-tert-butylbenzamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-tert-butylbenzamide Traditional Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-tert-butyl-benzamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C25H23N3O2S/c1-25(2,3)18-13-11-16(12-14-18)22(29)28-24(31)26-19-8-6-7-17(15-19)23-27-20-9-4-5-10-21(20)30-23/h4-15H,1-3H3,(H2,26,28,29,31)