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

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]propionamide Formula: C24H21FN2O2S2 MolecularWeight: 452.564143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C24H21FN2O2S2/c1-29-19-8-10-20(11-9-19)30-14-13-23(28)27(16-17-5-3-2-4-6-17)24-26-21-12-7-18(25)15-22(21)31-24/h2-12,15H,13-14,16H2,1H3