N-(4-bromanyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide

Systemtic Name: N-(4-bromanyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: N-(4-bromo-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-(4-bromo-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]propanamide IUPAC Name: N-(4-bromo-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-(4-bromo-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]propionamide Formula: C17H15BrN2O2S2 MolecularWeight: 423.3472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)NC2=NC3=C(S2)C=CC=C3Br

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)NC2=NC3=C(S2)C=CC=C3Br

InChI

InChI=1S/C17H15BrN2O2S2/c1-22-11-5-7-12(8-6-11)23-10-9-15(21)19-17-20-16-13(18)3-2-4-14(16)24-17/h2-8H,9-10H2,1H3,(H,19,20,21)