N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(phenylmethylsulfanyl)butanamide

Systemtic Name: N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(phenylmethylsulfanyl)butanamide Openeye Name: 4-benzylsulfanyl-N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]butanamide CAS Name: N-[4-(2,5-dimethoxyphenyl)-2-thiazolyl]-4-(phenylmethylthio)butanamide IUPAC Name: 4-benzylsulfanyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide Traditional Name: 4-(benzylthio)-N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]butyramide Formula: C22H24N2O3S2 MolecularWeight: 428.56756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)CCCSCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)CCCSCC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O3S2/c1-26-17-10-11-20(27-2)18(13-17)19-15-29-22(23-19)24-21(25)9-6-12-28-14-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15H,6,9,12,14H2,1-2H3,(H,23,24,25)