N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-phenylsulfanyl-propanamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-phenylsulfanyl-propanamide Openeye Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-3-phenylsulfanyl-propanamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-3-(phenylthio)propanamide IUPAC Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-phenylsulfanylpropanamide Traditional Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furfuryl)-3-(phenylthio)propionamide Formula: C23H22N2O2S2 MolecularWeight: 422.56298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CC=CO3)C(=O)CCSC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CC=CO3)C(=O)CCSC4=CC=CC=C4

InChI

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