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

Systemtic Name: N-[6-tert-butyl-3-[(4-methylphenyl)methylcarbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-furan-2-carboxamide Openeye Name: N-[6-tert-butyl-3-(p-tolylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-nitro-furan-2-carboxamide CAS Name: N-[6-tert-butyl-3-[[(4-methylphenyl)methylamino]-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-2-furancarboxamide IUPAC Name: N-[6-tert-butyl-3-[(4-methylphenyl)methylcarbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrofuran-2-carboxamide Traditional Name: N-[6-tert-butyl-3-[(4-methylbenzyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-nitro-2-furamide Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C26H29N3O5S/c1-15-5-7-16(8-6-15)14-27-24(31)22-18-10-9-17(26(2,3)4)13-20(18)35-25(22)28-23(30)19-11-12-21(34-19)29(32)33/h5-8,11-12,17H,9-10,13-14H2,1-4H3,(H,27,31)(H,28,30)