N-[2-[(4-chlorophenyl)-phenyl-methyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide

Systemtic Name: N-[2-[(4-chlorophenyl)-phenyl-methyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide Openeye Name: N-[2-[(4-chlorophenyl)-phenyl-methyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide CAS Name: N-[2-[[(4-chlorophenyl)-phenylmethyl]thio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: N-[2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide Traditional Name: N-[2-[[(4-chlorophenyl)-phenyl-methyl]thio]-1,3-benzothiazol-6-yl]propionamide Formula: C23H19ClN2OS2 MolecularWeight: 438.99276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H19ClN2OS2/c1-2-21(27)25-18-12-13-19-20(14-18)28-23(26-19)29-22(15-6-4-3-5-7-15)16-8-10-17(24)11-9-16/h3-14,22H,2H2,1H3,(H,25,27)