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

Systemtic Name: N2,N6-bis(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-2,6-dicarboxamide Openeye Name: N2,N6-bis(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)pyridine-2,6-dicarboxamide CAS Name: N2,N6-bis(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-2,6-dicarboxamide IUPAC Name: 2-N,6-N-bis(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-2,6-dicarboxamide Traditional Name: N,N'-bis(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)dipicolinamide Formula: C29H33N5O4S2 MolecularWeight: 579.73342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=NC(=CC=C3)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C(=O)N

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=NC(=CC=C3)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C(=O)N

InChI

InChI=1S/C29H33N5O4S2/c1-3-14-8-10-16-20(12-14)39-28(22(16)24(30)35)33-26(37)18-6-5-7-19(32-18)27(38)34-29-23(25(31)36)17-11-9-15(4-2)13-21(17)40-29/h5-7,14-15H,3-4,8-13H2,1-2H3,(H2,30,35)(H2,31,36)(H,33,37)(H,34,38)