N-[2-[2-(2-methoxy-4-methyl-phenoxy)ethylsulfanyl]-1,3-benzothiazol-6-yl]propanamide

Systemtic Name: N-[2-[2-(2-methoxy-4-methyl-phenoxy)ethylsulfanyl]-1,3-benzothiazol-6-yl]propanamide Openeye Name: N-[2-[2-(2-methoxy-4-methyl-phenoxy)ethylsulfanyl]-1,3-benzothiazol-6-yl]propanamide CAS Name: N-[2-[2-(2-methoxy-4-methylphenoxy)ethylthio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: N-[2-[2-(2-methoxy-4-methylphenoxy)ethylsulfanyl]-1,3-benzothiazol-6-yl]propanamide Traditional Name: N-[2-[2-(2-methoxy-4-methyl-phenoxy)ethylthio]-1,3-benzothiazol-6-yl]propionamide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCCOC3=C(C=C(C=C3)C)OC

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCCOC3=C(C=C(C=C3)C)OC

InChI

InChI=1S/C20H22N2O3S2/c1-4-19(23)21-14-6-7-15-18(12-14)27-20(22-15)26-10-9-25-16-8-5-13(2)11-17(16)24-3/h5-8,11-12H,4,9-10H2,1-3H3,(H,21,23)