N-[2-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide

Systemtic Name: N-[2-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide Openeye Name: N-[2-[2-(2,5-dimethoxyanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide CAS Name: N-[2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: N-[2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide Traditional Name: N-[2-[[2-(2,5-dimethoxyanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]propionamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C20H21N3O4S2/c1-4-18(24)21-12-5-7-14-17(9-12)29-20(23-14)28-11-19(25)22-15-10-13(26-2)6-8-16(15)27-3/h5-10H,4,11H2,1-3H3,(H,21,24)(H,22,25)