3-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-propanamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(4-methoxyanilino)-2-oxo-ethyl]-N-methyl-propanamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-[2-keto-2-(p-anisidino)ethyl]-N-methyl-propionamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)CCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)CCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H21N3O3S2/c1-23(13-18(24)21-14-7-9-15(26-2)10-8-14)19(25)11-12-27-20-22-16-5-3-4-6-17(16)28-20/h3-10H,11-13H2,1-2H3,(H,21,24)