N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(4-chlorophenyl)sulfanyl-propanamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(4-chlorophenyl)sulfanyl-propanamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(4-chlorophenyl)sulfanyl-propanamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[(4-chlorophenyl)thio]propanamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(4-chlorophenyl)sulfanylpropanamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[(4-chlorophenyl)thio]propionamide Formula: C22H17ClN2OS2 MolecularWeight: 424.96618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NC(=O)CCSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NC(=O)CCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H17ClN2OS2/c23-15-9-11-16(12-10-15)27-14-13-21(26)24-18-6-2-1-5-17(18)22-25-19-7-3-4-8-20(19)28-22/h1-12H,13-14H2,(H,24,26)