N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide

Systemtic Name: N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]propanamide IUPAC Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]propionamide Formula: C18H17ClN2O3S2 MolecularWeight: 408.92218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)NC2=NC3=C(C=CC(=C3S2)Cl)OC

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)NC2=NC3=C(C=CC(=C3S2)Cl)OC

InChI

InChI=1S/C18H17ClN2O3S2/c1-23-11-3-5-12(6-4-11)25-10-9-15(22)20-18-21-16-14(24-2)8-7-13(19)17(16)26-18/h3-8H,9-10H2,1-2H3,(H,20,21,22)