N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-methyl-benzamide

Systemtic Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methylbenzamide Traditional Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=C(O3)C=C(C(=C4)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=C(O3)C=C(C(=C4)C)C)C

InChI

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