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

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-phenylsulfanyl-propanamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-3-phenylsulfanyl-propanamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-3-(phenylthio)propanamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-phenylsulfanylpropanamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furfuryl)-3-(phenylthio)propionamide Formula: C23H22N2O2S2 MolecularWeight: 422.56298

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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=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O2S2/c1-16-10-11-20-22(17(16)2)24-23(29-20)25(15-18-7-6-13-27-18)21(26)12-14-28-19-8-4-3-5-9-19/h3-11,13H,12,14-15H2,1-2H3