4-butoxy-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-butoxy-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-butoxy-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-butoxy-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-butoxy-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-butoxy-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Formula: C20H21N3O4S MolecularWeight: 399.46344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC

InChI

InChI=1S/C20H21N3O4S/c1-3-5-12-27-16-9-6-14(7-10-16)19(24)21-20-22(4-2)17-11-8-15(23(25)26)13-18(17)28-20/h6-11,13H,3-5,12H2,1-2H3