6-tert-butyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 6-tert-butyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-tert-butyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-tert-butyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-tert-butyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-butyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H23N3O5S MolecularWeight: 429.48942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC=C2C(=O)NN=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC=C2C(=O)N/N=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C21H23N3O5S/c1-21(2,3)13-4-5-14-15(10-30-19(14)7-13)20(25)23-22-9-12-6-17-18(29-11-28-17)8-16(12)24(26)27/h6,8-10,13H,4-5,7,11H2,1-3H3,(H,23,25)/b22-9+