N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-nitro-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-nitro-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-(4-fluorophenyl)-5-methyl-thiazol-2-yl]-6-nitro-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-(4-fluorophenyl)-5-methyl-2-thiazolyl]-6-nitro-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-nitro-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(4-fluorophenyl)-5-methyl-thiazol-2-yl]-6-nitro-piperonylamide Formula: C18H12FN3O5S MolecularWeight: 401.368383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(N=C(S1)NC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C18H12FN3O5S/c1-9-16(10-2-4-11(19)5-3-10)20-18(28-9)21-17(23)12-6-14-15(27-8-26-14)7-13(12)22(24)25/h2-7H,8H2,1H3,(H,20,21,23)