N-[3-(aminocarbonylcarbamoyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[3-(aminocarbonylcarbamoyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-furan-2-carboxamide Openeye Name: N-(3-allophanoyl-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-nitro-furan-2-carboxamide CAS Name: N-[6-tert-butyl-3-[(carbamoylamino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-2-furancarboxamide IUPAC Name: N-[6-tert-butyl-3-(carbamoylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrofuran-2-carboxamide Traditional Name: N-(3-allophanoyl-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-nitro-2-furamide Formula: C19H22N4O6S MolecularWeight: 434.46618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC(=O)N)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC(=O)N)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O6S/c1-19(2,3)9-4-5-10-12(8-9)30-17(14(10)16(25)22-18(20)26)21-15(24)11-6-7-13(29-11)23(27)28/h6-7,9H,4-5,8H2,1-3H3,(H,21,24)(H3,20,22,25,26)