N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-phenylmethoxy-benzamide

Systemtic Name: N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: N-[[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-phenylmethoxybenzamide Traditional Name: 3-benzoxy-N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C32H29N3O3S MolecularWeight: 535.65596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C32H29N3O3S/c1-32(2,3)24-14-12-22(13-15-24)30-34-27-19-25(16-17-28(27)38-30)33-31(39)35-29(36)23-10-7-11-26(18-23)37-20-21-8-5-4-6-9-21/h4-19H,20H2,1-3H3,(H2,33,35,36,39)