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

Systemtic Name: N-[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxy-benzamide Openeye Name: N-[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxy-benzamide CAS Name: N-[[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxybenzamide Traditional Name: N-[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-methoxy-benzamide Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O3S/c1-14-4-10-19(15(2)12-14)23-26-20-13-17(7-11-21(20)30-23)25-24(31)27-22(28)16-5-8-18(29-3)9-6-16/h4-13H,1-3H3,(H2,25,27,28,31)