N2,N5-bis(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-2,5-dicarboxamide

Systemtic Name: N2,N5-bis(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-2,5-dicarboxamide Openeye Name: N2,N5-bis(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)pyridine-2,5-dicarboxamide CAS Name: N2,N5-bis(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-2,5-dicarboxamide IUPAC Name: 2-N,5-N-bis(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-2,5-dicarboxamide Traditional Name: N,N'-bis(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)isocinchomeronamide 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=CN=C(C=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=CN=C(C=C3)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C(=O)N

InChI

InChI=1S/C29H33N5O4S2/c1-3-14-5-8-17-20(11-14)39-28(22(17)24(30)35)33-26(37)16-7-10-19(32-13-16)27(38)34-29-23(25(31)36)18-9-6-15(4-2)12-21(18)40-29/h7,10,13-15H,3-6,8-9,11-12H2,1-2H3,(H2,30,35)(H2,31,36)(H,33,37)(H,34,38)