[4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[3-(2-furylmethylamino)-4-nitro-phenyl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[3-(2-furanylmethylamino)-4-nitrophenyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[3-(furan-2-ylmethylamino)-4-nitrophenyl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[3-(2-furfurylamino)-4-nitro-phenyl]piperazino]-(2-thienyl)methanone Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3)C(=O)C4=CC=CS4

InChI

InChI=1S/C20H20N4O4S/c25-20(19-4-2-12-29-19)23-9-7-22(8-10-23)15-5-6-18(24(26)27)17(13-15)21-14-16-3-1-11-28-16/h1-6,11-13,21H,7-10,14H2