N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-(2,3-dimethylphenoxy)ethanamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-(2,3-dimethylphenoxy)ethanamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-(2,3-dimethylphenoxy)acetamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2-(2,3-dimethylphenoxy)acetamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-2-(2,3-dimethylphenoxy)acetamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-2-(2,3-dimethylphenoxy)acetamide Formula: C25H23N3O2S2 MolecularWeight: 461.59902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)C)C

InChI

InChI=1S/C25H23N3O2S2/c1-15-7-6-9-21(17(15)3)30-14-23(29)28-25(31)27-20-13-18(12-11-16(20)2)24-26-19-8-4-5-10-22(19)32-24/h4-13H,14H2,1-3H3,(H2,27,28,29,31)