N,N'-bis[3-aminocarbonyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]hexanediamide

Systemtic Name: N,N'-bis[3-aminocarbonyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]hexanediamide Openeye Name: N,N'-bis[3-carbamoyl-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]hexanediamide CAS Name: N,N'-bis[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]hexanediamide IUPAC Name: N,N'-bis[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]hexanediamide Traditional Name: N,N'-bis(6-tert-amyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)adipamide Formula: C34H50N4O4S2 MolecularWeight: 642.9152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H50N4O4S2/c1-7-33(3,4)19-13-15-21-23(17-19)43-31(27(21)29(35)41)37-25(39)11-9-10-12-26(40)38-32-28(30(36)42)22-16-14-20(18-24(22)44-32)34(5,6)8-2/h19-20H,7-18H2,1-6H3,(H2,35,41)(H2,36,42)(H,37,39)(H,38,40)