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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)NC(=O)CCSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)NC(=O)CCSC4=CC=C(C=C4)Cl

InChI

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