N-[5-[2-(3,4-dimethoxyphenyl)ethanoylamino]-1,3-benzothiazol-2-yl]-2-methyl-propanamide

Systemtic Name: N-[5-[2-(3,4-dimethoxyphenyl)ethanoylamino]-1,3-benzothiazol-2-yl]-2-methyl-propanamide Openeye Name: N-[5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1,3-benzothiazol-2-yl]-2-methyl-propanamide CAS Name: N-[5-[[2-(3,4-dimethoxyphenyl)-1-oxoethyl]amino]-1,3-benzothiazol-2-yl]-2-methylpropanamide IUPAC Name: N-[5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1,3-benzothiazol-2-yl]-2-methylpropanamide Traditional Name: N-[5-(homoveratroylamino)-1,3-benzothiazol-2-yl]-2-methyl-propionamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC2=C(S1)C=CC(=C2)NC(=O)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)C(=O)NC1=NC2=C(S1)C=CC(=C2)NC(=O)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H23N3O4S/c1-12(2)20(26)24-21-23-15-11-14(6-8-18(15)29-21)22-19(25)10-13-5-7-16(27-3)17(9-13)28-4/h5-9,11-12H,10H2,1-4H3,(H,22,25)(H,23,24,26)