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

Systemtic Name: 5-nitro-N-[3-(phenylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide Openeye Name: 5-nitro-N-[3-(phenylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]furan-2-carboxamide CAS Name: N-[3-[anilino(oxo)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-2-furancarboxamide IUPAC Name: 5-nitro-N-[3-(phenylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide Traditional Name: 5-nitro-N-[3-(phenylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-furamide Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C20H17N3O5S/c24-18(14-10-11-16(28-14)23(26)27)22-20-17(13-8-4-5-9-15(13)29-20)19(25)21-12-6-2-1-3-7-12/h1-3,6-7,10-11H,4-5,8-9H2,(H,21,25)(H,22,24)