N,N'-bis[3-cyano-5-(diethylcarbamoyl)-4-methyl-thiophen-2-yl]hexanediamide

Systemtic Name: N,N'-bis[3-cyano-5-(diethylcarbamoyl)-4-methyl-thiophen-2-yl]hexanediamide Openeye Name: N,N'-bis[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]hexanediamide CAS Name: N,N'-bis[3-cyano-5-[diethylamino(oxo)methyl]-4-methyl-2-thiophenyl]hexanediamide IUPAC Name: N,N'-bis[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]hexanediamide Traditional Name: N,N'-bis[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]adipamide Formula: C28H36N6O4S2 MolecularWeight: 584.75324

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)CCCCC(=O)NC2=C(C(=C(S2)C(=O)N(CC)CC)C)C#N)C#N)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)CCCCC(=O)NC2=C(C(=C(S2)C(=O)N(CC)CC)C)C#N)C#N)C

InChI

InChI=1S/C28H36N6O4S2/c1-7-33(8-2)27(37)23-17(5)19(15-29)25(39-23)31-21(35)13-11-12-14-22(36)32-26-20(16-30)18(6)24(40-26)28(38)34(9-3)10-4/h7-14H2,1-6H3,(H,31,35)(H,32,36)