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

Systemtic Name: N-[2-[2-(2-methoxy-4-methyl-phenoxy)ethylsulfanyl]-1,3-benzothiazol-6-yl]thiophene-2-carboxamide Openeye Name: N-[2-[2-(2-methoxy-4-methyl-phenoxy)ethylsulfanyl]-1,3-benzothiazol-6-yl]thiophene-2-carboxamide CAS Name: N-[2-[2-(2-methoxy-4-methylphenoxy)ethylthio]-1,3-benzothiazol-6-yl]-2-thiophenecarboxamide IUPAC Name: N-[2-[2-(2-methoxy-4-methylphenoxy)ethylsulfanyl]-1,3-benzothiazol-6-yl]thiophene-2-carboxamide Traditional Name: N-[2-[2-(2-methoxy-4-methyl-phenoxy)ethylthio]-1,3-benzothiazol-6-yl]thiophene-2-carboxamide Formula: C22H20N2O3S3 MolecularWeight: 456.6008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CS4)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OCCSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CS4)OC

InChI

InChI=1S/C22H20N2O3S3/c1-14-5-8-17(18(12-14)26-2)27-9-11-29-22-24-16-7-6-15(13-20(16)30-22)23-21(25)19-4-3-10-28-19/h3-8,10,12-13H,9,11H2,1-2H3,(H,23,25)