2-[(4-iodanyl-2-methyl-phenyl)amino]-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]butanamide

Systemtic Name: 2-[(4-iodanyl-2-methyl-phenyl)amino]-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]butanamide Openeye Name: 2-(4-iodo-2-methyl-anilino)-N-[(E)-(5-nitro-2-thienyl)methyleneamino]butanamide CAS Name: 2-(4-iodo-2-methylanilino)-N-[(E)-(5-nitro-2-thiophenyl)methylideneamino]butanamide IUPAC Name: 2-(4-iodo-2-methylanilino)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]butanamide Traditional Name: 2-(4-iodo-2-methyl-anilino)-N-[(E)-(5-nitro-2-thienyl)methyleneamino]butyramide Formula: C16H17IN4O3S MolecularWeight: 472.30065

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NN=CC1=CC=C(S1)[N+](=O)[O-])NC2=C(C=C(C=C2)I)C

Isomeric SMILES

CCC(C(=O)N/N=C/C1=CC=C(S1)[N+](=O)[O-])NC2=C(C=C(C=C2)I)C

InChI

InChI=1S/C16H17IN4O3S/c1-3-13(19-14-6-4-11(17)8-10(14)2)16(22)20-18-9-12-5-7-15(25-12)21(23)24/h4-9,13,19H,3H2,1-2H3,(H,20,22)/b18-9+