N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanyl-N-(2-furylmethyl)propanamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)thio]-N-(2-furanylmethyl)propanamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)thio]-N-(2-furfuryl)propionamide Formula: C23H21FN2O2S2 MolecularWeight: 440.553443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CO3)C(=O)CCSC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CO3)C(=O)CCSC4=CC=C(C=C4)F)C

InChI

InChI=1S/C23H21FN2O2S2/c1-15-5-10-20-22(16(15)2)25-23(30-20)26(14-18-4-3-12-28-18)21(27)11-13-29-19-8-6-17(24)7-9-19/h3-10,12H,11,13-14H2,1-2H3