4-[(4-chlorophenyl)sulfanylmethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-[(4-chlorophenyl)sulfanylmethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-[(4-chlorophenyl)sulfanylmethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-[[(4-chlorophenyl)thio]methyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-[(4-chlorophenyl)sulfanylmethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide Formula: C23H19ClN2O2S2 MolecularWeight: 454.99216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H19ClN2O2S2/c1-2-28-18-9-12-20-21(13-18)30-23(25-20)26-22(27)16-5-3-15(4-6-16)14-29-19-10-7-17(24)8-11-19/h3-13H,2,14H2,1H3,(H,25,26,27)