N,N'-bis(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanediamide

Systemtic Name: N,N'-bis(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanediamide Openeye Name: N,N'-bis(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)pentanediamide CAS Name: N,N'-bis(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanediamide IUPAC Name: N,N'-bis(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanediamide Traditional Name: N,N'-bis(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)glutaramide Formula: C27H36N4O4S2 MolecularWeight: 544.72914

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCCC(=O)NC3=C(C4=C(S3)CC(CC4)CC)C(=O)N

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCCC(=O)NC3=C(C4=C(S3)CC(CC4)CC)C(=O)N

InChI

InChI=1S/C27H36N4O4S2/c1-3-14-8-10-16-18(12-14)36-26(22(16)24(28)34)30-20(32)6-5-7-21(33)31-27-23(25(29)35)17-11-9-15(4-2)13-19(17)37-27/h14-15H,3-13H2,1-2H3,(H2,28,34)(H2,29,35)(H,30,32)(H,31,33)