N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenylsulfanyl-butanamide

Systemtic Name: N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenylsulfanyl-butanamide Openeye Name: N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenylsulfanyl-butanamide CAS Name: N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(phenylthio)butanamide IUPAC Name: N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenylsulfanylbutanamide Traditional Name: N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(phenylthio)butyramide Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=CC(=C2SC1=NC(=O)CCCSC3=CC=CC=C3)OC)OC

Isomeric SMILES

COCCN1C2=C(C=CC(=C2SC1=NC(=O)CCCSC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C22H26N2O4S2/c1-26-14-13-24-20-17(27-2)11-12-18(28-3)21(20)30-22(24)23-19(25)10-7-15-29-16-8-5-4-6-9-16/h4-6,8-9,11-12H,7,10,13-15H2,1-3H3