3,5-dimethyl-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide

Systemtic Name: 3,5-dimethyl-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 3,5-dimethyl-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 3,5-dimethyl-N-[[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dimethyl-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 3,5-dimethyl-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C29H23N3O2S MolecularWeight: 477.57682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C29H23N3O2S/c1-18-14-19(2)16-23(15-18)27(33)32-29(35)30-24-12-13-26-25(17-24)31-28(34-26)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-17H,1-2H3,(H2,30,32,33,35)