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

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(2-pyridylmethyl)propanamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]-N-(2-pyridinylmethyl)propanamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]-N-(2-pyridylmethyl)propionamide Formula: C23H20BrN3O2S2 MolecularWeight: 514.4578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C23H20BrN3O2S2/c1-29-18-6-8-19(9-7-18)30-13-11-22(28)27(15-17-4-2-3-12-25-17)23-26-20-10-5-16(24)14-21(20)31-23/h2-10,12,14H,11,13,15H2,1H3