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

Systemtic Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3-phenylsulfanyl-propanamide Openeye Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3-phenylsulfanyl-propanamide CAS Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3-(phenylthio)propanamide IUPAC Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3-phenylsulfanylpropanamide Traditional Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3-(phenylthio)propionamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3S2/c1-3-28-13-12-25-19-10-9-17(23-16(2)26)15-20(19)30-22(25)24-21(27)11-14-29-18-7-5-4-6-8-18/h4-10,15H,3,11-14H2,1-2H3,(H,23,26)