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

Systemtic Name: N1,N3-bis(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)benzene-1,3-dicarboxamide CAS Name: N1,N3-bis(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,3-dicarboxamide Traditional Name: N,N'-bis(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)isophthalamide 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(=CC=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(=CC=C3)C(=O)NC4=C(C5=C(S4)CC(CC5)C)C(=O)N

InChI

InChI=1S/C28H30N4O4S2/c1-13-6-8-17-19(10-13)37-27(21(17)23(29)33)31-25(35)15-4-3-5-16(12-15)26(36)32-28-22(24(30)34)18-9-7-14(2)11-20(18)38-28/h3-5,12-14H,6-11H2,1-2H3,(H2,29,33)(H2,30,34)(H,31,35)(H,32,36)