4-methyl-2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-5-(phenylmethyl)thiophene-3-carboxamide

Systemtic Name: 4-methyl-2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-4-methyl-2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiophene-3-carboxamide CAS Name: 4-methyl-2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-4-methyl-2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiophene-3-carboxamide Traditional Name: 5-benzyl-4-methyl-2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiophene-3-carboxamide Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)N=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)/N=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)CC4=CC=CC=C4

InChI

InChI=1S/C21H17N3O5S/c1-12-18(7-13-5-3-2-4-6-13)30-21(19(12)20(22)25)23-10-14-8-16-17(29-11-28-16)9-15(14)24(26)27/h2-6,8-10H,7,11H2,1H3,(H2,22,25)/b23-10+