N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-phenylsulfanyl-propanamide

Systemtic Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-phenylsulfanyl-propanamide Openeye Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-3-phenylsulfanyl-propanamide CAS Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-3-(phenylthio)propanamide IUPAC Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-phenylsulfanylpropanamide Traditional Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-furfuryl)-3-(phenylthio)propionamide Formula: C23H22N2O4S2 MolecularWeight: 454.56178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CC3=CC=CO3)C(=O)CCSC4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CC3=CC=CO3)C(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C23H22N2O4S2/c1-27-18-10-11-19(28-2)22-21(18)24-23(31-22)25(15-16-7-6-13-29-16)20(26)12-14-30-17-8-4-3-5-9-17/h3-11,13H,12,14-15H2,1-2H3