3-(4-fluorophenyl)sulfanyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)propanamide

Systemtic Name: 3-(4-fluorophenyl)sulfanyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-3-(4-fluorophenyl)sulfanyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[(4-fluorophenyl)thio]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-3-(4-fluorophenyl)sulfanyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-benzyl-3-[(4-fluorophenyl)thio]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)propionamide Formula: C25H23FN2O2S2 MolecularWeight: 466.590723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CC3=CC=CC=C3)C(=O)CCSC4=CC=C(C=C4)F

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CC3=CC=CC=C3)C(=O)CCSC4=CC=C(C=C4)F

InChI

InChI=1S/C25H23FN2O2S2/c1-17-8-13-21(30-2)23-24(17)32-25(27-23)28(16-18-6-4-3-5-7-18)22(29)14-15-31-20-11-9-19(26)10-12-20/h3-13H,14-16H2,1-2H3