3-butoxy-N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 3-butoxy-N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 3-butoxy-N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 3-butoxy-N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 3-butoxy-N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 3-butoxy-N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)benzamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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