N-[2-(N-butyl-C-phenyl-carbonimidoyl)-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridin-3-yl]-4-nitro-benzamide

Systemtic Name: N-[2-(N-butyl-C-phenyl-carbonimidoyl)-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridin-3-yl]-4-nitro-benzamide Openeye Name: N-[2-(N-butyl-C-phenyl-carbonimidoyl)-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridin-3-yl]-4-nitro-benzamide CAS Name: N-[2-[butylimino(phenyl)methyl]-4-(methoxymethyl)-6-methyl-3-thieno[2,3-b]pyridinyl]-4-nitrobenzamide IUPAC Name: N-[2-(N-butyl-C-phenylcarbonimidoyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-4-nitrobenzamide Traditional Name: N-[2-(N-butyl-C-phenyl-carbonimidoyl)-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridin-3-yl]-4-nitro-benzamide Formula: C28H28N4O4S MolecularWeight: 516.61132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(C1=CC=CC=C1)C2=C(C3=C(S2)N=C(C=C3COC)C)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCN=C(C1=CC=CC=C1)C2=C(C3=C(S2)N=C(C=C3COC)C)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H28N4O4S/c1-4-5-15-29-24(19-9-7-6-8-10-19)26-25(23-21(17-36-3)16-18(2)30-28(23)37-26)31-27(33)20-11-13-22(14-12-20)32(34)35/h6-14,16H,4-5,15,17H2,1-3H3,(H,31,33)