N-(6-bromanyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]propanamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]propionamide Formula: C17H15BrN2O2S2 MolecularWeight: 423.3472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)NC2=NC3=C(S2)C=C(C=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)NC2=NC3=C(S2)C=C(C=C3)Br

InChI

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