4-butoxy-N-(3-methyl-6-nitro-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-butoxy-N-(3-methyl-6-nitro-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-butoxy-N-(3-methyl-6-nitro-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-butoxy-N-(3-methyl-6-nitro-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-butoxy-N-(3-methyl-6-nitro-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-butoxy-N-(3-methyl-6-nitro-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)benzamide Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3CCC(CC3S2)[N+](=O)[O-])C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3CCC(CC3S2)[N+](=O)[O-])C

InChI

InChI=1S/C19H25N3O4S/c1-3-4-11-26-15-8-5-13(6-9-15)18(23)20-19-21(2)16-10-7-14(22(24)25)12-17(16)27-19/h5-6,8-9,14,16-17H,3-4,7,10-12H2,1-2H3