N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)sulfanyl-butanamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)sulfanyl-butanamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-4-(4-methoxyphenyl)sulfanyl-butanamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-4-[(4-methoxyphenyl)thio]butanamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)sulfanylbutanamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-furfuryl)-4-[(4-methoxyphenyl)thio]butyramide Formula: C23H21FN2O3S2 MolecularWeight: 456.552843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCCC(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)SCCCC(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C23H21FN2O3S2/c1-28-17-7-9-19(10-8-17)30-13-3-5-22(27)26(15-18-4-2-12-29-18)23-25-20-11-6-16(24)14-21(20)31-23/h2,4,6-12,14H,3,5,13,15H2,1H3