N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-(4-ethylphenoxy)ethanamide

Systemtic Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-(4-ethylphenoxy)ethanamide Openeye Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-(4-ethylphenoxy)acetamide CAS Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2-(4-ethylphenoxy)acetamide IUPAC Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-2-(4-ethylphenoxy)acetamide Traditional Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-2-(4-ethylphenoxy)acetamide Formula: C25H23N3O2S2 MolecularWeight: 461.59902

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC(=C2C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC(=C2C)C3=NC4=CC=CC=C4S3

InChI

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