2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-[(4-methoxyphenyl)methyl]propanamide IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-p-anisyl-propionamide Formula: C18H17ClN2O2S2 MolecularWeight: 392.92278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)SC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)OC)SC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C18H17ClN2O2S2/c1-11(17(22)20-10-12-3-6-14(23-2)7-4-12)24-18-21-15-9-13(19)5-8-16(15)25-18/h3-9,11H,10H2,1-2H3,(H,20,22)