N2,N6-bis(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-2,6-dicarboxamide

Systemtic Name: N2,N6-bis(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-2,6-dicarboxamide Openeye Name: N2,N6-bis(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)pyridine-2,6-dicarboxamide CAS Name: N2,N6-bis(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-2,6-dicarboxamide IUPAC Name: 2-N,6-N-bis(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-2,6-dicarboxamide Traditional Name: N,N'-bis(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)dipicolinamide Formula: C27H29N5O4S2 MolecularWeight: 551.68026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=NC(=CC=C3)C(=O)NC4=C(C5=C(S4)CC(CC5)C)C(=O)N

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=NC(=CC=C3)C(=O)NC4=C(C5=C(S4)CC(CC5)C)C(=O)N

InChI

InChI=1S/C27H29N5O4S2/c1-12-6-8-14-18(10-12)37-26(20(14)22(28)33)31-24(35)16-4-3-5-17(30-16)25(36)32-27-21(23(29)34)15-9-7-13(2)11-19(15)38-27/h3-5,12-13H,6-11H2,1-2H3,(H2,28,33)(H2,29,34)(H,31,35)(H,32,36)