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

Systemtic Name: N,N'-bis(3-aminocarbonyl-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanediamide Openeye Name: N,N'-bis(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)pentanediamide CAS Name: N,N'-bis(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanediamide IUPAC Name: N,N'-bis(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanediamide Traditional Name: N,N'-bis(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)glutaramide Formula: C31H44N4O4S2 MolecularWeight: 600.83546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCCC(=O)NC3=C(C4=C(S3)CC(CC4)C(C)(C)C)C(=O)N

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCCC(=O)NC3=C(C4=C(S3)CC(CC4)C(C)(C)C)C(=O)N

InChI

InChI=1S/C31H44N4O4S2/c1-30(2,3)16-10-12-18-20(14-16)40-28(24(18)26(32)38)34-22(36)8-7-9-23(37)35-29-25(27(33)39)19-13-11-17(31(4,5)6)15-21(19)41-29/h16-17H,7-15H2,1-6H3,(H2,32,38)(H2,33,39)(H,34,36)(H,35,37)