N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-(4-methylphenyl)sulfanyl-propanamide

Systemtic Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-(4-methylphenyl)sulfanyl-propanamide Openeye Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-(p-tolylsulfanyl)propanamide CAS Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-[(4-methylphenyl)thio]propanamide IUPAC Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-(4-methylphenyl)sulfanylpropanamide Traditional Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-(p-tolylthio)propionamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CCOC

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CCOC

InChI

InChI=1S/C20H21N3O4S2/c1-14-3-6-16(7-4-14)28-12-9-19(24)21-20-22(10-11-27-2)17-13-15(23(25)26)5-8-18(17)29-20/h3-8,13H,9-12H2,1-2H3