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

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-3-[(4-methoxyphenyl)thio]propanamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furfuryl)-3-[(4-methoxyphenyl)thio]propionamide Formula: C24H24N2O3S2 MolecularWeight: 452.58896

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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=C(C=C4)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O3S2/c1-16-6-11-21-23(17(16)2)25-24(31-21)26(15-19-5-4-13-29-19)22(27)12-14-30-20-9-7-18(28-3)8-10-20/h4-11,13H,12,14-15H2,1-3H3