N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(3,4,5-trimethoxyphenyl)propanamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(3,4,5-trimethoxyphenyl)propanamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(3,4,5-trimethoxyphenyl)propanamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-(3,4,5-trimethoxyphenyl)propanamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(3,4,5-trimethoxyphenyl)propanamide Traditional Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-(3,4,5-trimethoxyphenyl)propionamide Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SC

InChI

InChI=1S/C20H22N2O4S2/c1-24-15-9-12(10-16(25-2)19(15)26-3)5-8-18(23)21-13-6-7-14-17(11-13)28-20(22-14)27-4/h6-7,9-11H,5,8H2,1-4H3,(H,21,23)