N'-(3-aminocarbonyl-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)butanediamide

Systemtic Name: N'-(3-aminocarbonyl-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)butanediamide Openeye Name: N'-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-N-(2-furylmethyl)butanediamide CAS Name: N'-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(2-furanylmethyl)butanediamide IUPAC Name: N'-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)butanediamide Traditional Name: N'-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-N-(2-furfuryl)succinamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCC(=O)NCC3=CC=CO3

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C22H29N3O4S/c1-22(2,3)13-6-7-15-16(11-13)30-21(19(15)20(23)28)25-18(27)9-8-17(26)24-12-14-5-4-10-29-14/h4-5,10,13H,6-9,11-12H2,1-3H3,(H2,23,28)(H,24,26)(H,25,27)