N-benzo[e][1,3]benzothiazol-2-yl-3-(3,4-dimethoxyphenyl)propanamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(3,4-dimethoxyphenyl)propanamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(3,4-dimethoxyphenyl)propanamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-3-(3,4-dimethoxyphenyl)propanamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(3,4-dimethoxyphenyl)propanamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(3,4-dimethoxyphenyl)propionamide Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43)OC

InChI

InChI=1S/C22H20N2O3S/c1-26-17-10-7-14(13-18(17)27-2)8-12-20(25)23-22-24-21-16-6-4-3-5-15(16)9-11-19(21)28-22/h3-7,9-11,13H,8,12H2,1-2H3,(H,23,24,25)