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

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-phenylsulfanyl-propanamide Openeye Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-3-phenylsulfanyl-propanamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-3-(phenylthio)propanamide IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-phenylsulfanylpropanamide Traditional Name: N-(6-ethyl-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:

CCC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CO3)C(=O)CCSC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CO3)C(=O)CCSC4=CC=CC=C4

InChI

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