N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenylsulfanyl-butanamide

Systemtic Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenylsulfanyl-butanamide Openeye Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenylsulfanyl-butanamide CAS Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(phenylthio)butanamide IUPAC Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenylsulfanylbutanamide Traditional Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(phenylthio)butyramide Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O3S2/c1-3-29-14-13-26-20-12-11-18(24-17(2)27)16-21(20)31-23(26)25-22(28)10-7-15-30-19-8-5-4-6-9-19/h4-6,8-9,11-12,16H,3,7,10,13-15H2,1-2H3,(H,24,27)