3-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-homoveratryl-propionamide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCSC2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCSC2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C20H22N2O3S2/c1-24-16-8-7-14(13-17(16)25-2)9-11-21-19(23)10-12-26-20-22-15-5-3-4-6-18(15)27-20/h3-8,13H,9-12H2,1-2H3,(H,21,23)