2-(4-chloranyl-2-methyl-phenoxy)-N-(6-isothiocyanato-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-N-(6-isothiocyanato-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(4-chloro-2-methyl-phenoxy)-N-(6-isothiocyanato-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(4-chloro-2-methylphenoxy)-N-(6-isothiocyanato-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(4-chloro-2-methylphenoxy)-N-(6-isothiocyanato-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(4-chloro-2-methyl-phenoxy)-N-(6-isothiocyanato-1,3-benzothiazol-2-yl)acetamide Formula: C17H12ClN3O2S2 MolecularWeight: 389.87908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)N=C=S

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)N=C=S

InChI

InChI=1S/C17H12ClN3O2S2/c1-10-6-11(18)2-5-14(10)23-8-16(22)21-17-20-13-4-3-12(19-9-24)7-15(13)25-17/h2-7H,8H2,1H3,(H,20,21,22)