N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-butanamide

Systemtic Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-butanamide Openeye Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-butanamide CAS Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]butanamide IUPAC Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanylbutanamide Traditional Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]butyramide Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCCC(=O)NC2=NC3=CC(=C(C=C3S2)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)SCCCC(=O)NC2=NC3=CC(=C(C=C3S2)OC)OC

InChI

InChI=1S/C20H22N2O4S2/c1-24-13-6-8-14(9-7-13)27-10-4-5-19(23)22-20-21-15-11-16(25-2)17(26-3)12-18(15)28-20/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22,23)