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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)C

InChI

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