N1,N3-bis[3-aminocarbonyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-bis[3-aminocarbonyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis[3-carbamoyl-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzene-1,3-dicarboxamide CAS Name: N1,N3-bis[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzene-1,3-dicarboxamide Traditional Name: N,N'-bis(6-tert-amyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)isophthalamide Formula: C36H46N4O4S2 MolecularWeight: 662.90484

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=CC=C3)C(=O)NC4=C(C5=C(S4)CC(CC5)C(C)(C)CC)C(=O)N

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=CC=C3)C(=O)NC4=C(C5=C(S4)CC(CC5)C(C)(C)CC)C(=O)N

InChI

InChI=1S/C36H46N4O4S2/c1-7-35(3,4)21-12-14-23-25(17-21)45-33(27(23)29(37)41)39-31(43)19-10-9-11-20(16-19)32(44)40-34-28(30(38)42)24-15-13-22(18-26(24)46-34)36(5,6)8-2/h9-11,16,21-22H,7-8,12-15,17-18H2,1-6H3,(H2,37,41)(H2,38,42)(H,39,43)(H,40,44)