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

Systemtic Name: N-[3-[(4-methylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-furan-2-carboxamide Openeye Name: 5-nitro-N-[3-(p-tolylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]furan-2-carboxamide CAS Name: N-[3-[(4-methylanilino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-2-furancarboxamide IUPAC Name: N-[3-[(4-methylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrofuran-2-carboxamide Traditional Name: 5-nitro-N-[3-(p-tolylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-furamide Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O5S/c1-12-6-8-13(9-7-12)22-20(26)18-14-4-2-3-5-16(14)30-21(18)23-19(25)15-10-11-17(29-15)24(27)28/h6-11H,2-5H2,1H3,(H,22,26)(H,23,25)