N-(3-methoxypropyl)-2-[(4-methyl-3-nitro-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(3-methoxypropyl)-2-[(4-methyl-3-nitro-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(3-methoxypropyl)-2-[(4-methyl-3-nitro-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(3-methoxypropyl)-2-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(3-methoxypropyl)-2-[(4-methyl-3-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(3-methoxypropyl)-2-[(4-methyl-3-nitro-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCCCOC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCCCOC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5S/c1-13-8-9-14(12-16(13)24(27)28)19(25)23-21-18(20(26)22-10-5-11-29-2)15-6-3-4-7-17(15)30-21/h8-9,12H,3-7,10-11H2,1-2H3,(H,22,26)(H,23,25)