N-[2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-1,3-benzothiazol-6-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-1,3-benzothiazol-6-yl]-2-phenoxy-ethanamide Openeye Name: N-[2-(2-morpholino-2-oxo-ethyl)sulfanyl-1,3-benzothiazol-6-yl]-2-phenoxy-acetamide CAS Name: N-[2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-phenoxyacetamide IUPAC Name: N-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-2-phenoxyacetamide Traditional Name: N-[2-[(2-keto-2-morpholino-ethyl)thio]-1,3-benzothiazol-6-yl]-2-phenoxy-acetamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O4S2/c25-19(13-28-16-4-2-1-3-5-16)22-15-6-7-17-18(12-15)30-21(23-17)29-14-20(26)24-8-10-27-11-9-24/h1-7,12H,8-11,13-14H2,(H,22,25)