N1,N4-bis(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,4-dicarboxamide

Systemtic Name: N1,N4-bis(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)terephthalamide CAS Name: N1,N4-bis(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,4-dicarboxamide Traditional Name: N,N'-bis(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)terephthalamide Formula: C28H30N4O4S2 MolecularWeight: 550.6922

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)C(=O)NC4=C(C5=C(S4)CC(CC5)C)C(=O)N

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)C(=O)NC4=C(C5=C(S4)CC(CC5)C)C(=O)N

InChI

InChI=1S/C28H30N4O4S2/c1-13-3-9-17-19(11-13)37-27(21(17)23(29)33)31-25(35)15-5-7-16(8-6-15)26(36)32-28-22(24(30)34)18-10-4-14(2)12-20(18)38-28/h5-8,13-14H,3-4,9-12H2,1-2H3,(H2,29,33)(H2,30,34)(H,31,35)(H,32,36)