N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide

Systemtic Name: N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide Openeye Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanyl-N-(2-pyridylmethyl)propanamide CAS Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)thio]-N-(2-pyridinylmethyl)propanamide IUPAC Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide Traditional Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)thio]-N-(2-pyridylmethyl)propionamide Formula: C23H19ClFN3OS2 MolecularWeight: 471.997863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCSC4=CC=C(C=C4)F

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCSC4=CC=C(C=C4)F

InChI

InChI=1S/C23H19ClFN3OS2/c1-15-5-10-19(24)22-21(15)27-23(31-22)28(14-17-4-2-3-12-26-17)20(29)11-13-30-18-8-6-16(25)7-9-18/h2-10,12H,11,13-14H2,1H3