5-[(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]benzene-1,3-dicarboxamide

Systemtic Name: 5-[(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]benzene-1,3-dicarboxamide Openeye Name: 5-[(5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]benzene-1,3-dicarboxamide CAS Name: 5-[[(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]amino]benzene-1,3-dicarboxamide IUPAC Name: 5-[(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]benzene-1,3-dicarboxamide Traditional Name: 5-[(5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]isophthalamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N

InChI

InChI=1S/C21H25N3O3S/c1-21(2,3)14-4-5-16-11(7-14)10-17(28-16)20(27)24-15-8-12(18(22)25)6-13(9-15)19(23)26/h6,8-10,14H,4-5,7H2,1-3H3,(H2,22,25)(H2,23,26)(H,24,27)