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

Systemtic Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2,6-dimethoxy-benzamide Openeye Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2,6-dimethoxy-benzamide CAS Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2,6-dimethoxybenzamide IUPAC Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2,6-dimethoxybenzamide Traditional Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-2,6-dimethoxy-benzamide Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)C4=C(C=CC=C4OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)C4=C(C=CC=C4OC)OC

InChI

InChI=1S/C24H21N3O4S/c1-14-11-12-15(23-25-16-7-4-5-8-18(16)31-23)13-17(14)26-24(32)27-22(28)21-19(29-2)9-6-10-20(21)30-3/h4-13H,1-3H3,(H2,26,27,28,32)