N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-5-propyl-thiophene-3-carboxamide

Systemtic Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-5-propyl-thiophene-3-carboxamide Openeye Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-5-propyl-thiophene-3-carboxamide CAS Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-5-propyl-3-thiophenecarboxamide IUPAC Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-5-propylthiophene-3-carboxamide Traditional Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-5-propyl-thiophene-3-carboxamide Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CS1)C(=O)NN=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CCCC1=CC(=CS1)C(=O)N/N=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C16H15N3O5S/c1-2-3-12-4-11(8-25-12)16(20)18-17-7-10-5-14-15(24-9-23-14)6-13(10)19(21)22/h4-8H,2-3,9H2,1H3,(H,18,20)/b17-7+