N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-methyl-benzamide

Systemtic Name: N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-methyl-benzamide Openeye Name: N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-methyl-benzamide CAS Name: N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2-methylbenzamide IUPAC Name: N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-methylbenzamide Traditional Name: N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-2-methyl-benzamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC(=CC(=C3O2)C)C)NC(=S)NC(=O)C4=CC=CC=C4C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC(=CC(=C3O2)C)C)NC(=S)NC(=O)C4=CC=CC=C4C

InChI

InChI=1S/C25H23N3O2S/c1-14-11-17(4)22-21(12-14)26-24(30-22)18-10-9-16(3)20(13-18)27-25(31)28-23(29)19-8-6-5-7-15(19)2/h5-13H,1-4H3,(H2,27,28,29,31)