[4-[(5-bromanyl-3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone

Systemtic Name: [4-[(5-bromanyl-3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Openeye Name: [4-(5-bromo-3-methyl-benzofuran-2-carbonyl)piperazin-1-yl]-(5-nitro-2-thienyl)methanone CAS Name: [4-[(5-bromo-3-methyl-2-benzofuranyl)-oxomethyl]-1-piperazinyl]-(5-nitro-2-thiophenyl)methanone IUPAC Name: [4-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Traditional Name: [4-(5-bromo-3-methyl-benzofuran-2-carbonyl)piperazino]-(5-nitro-2-thienyl)methanone Formula: C19H16BrN3O5S MolecularWeight: 478.31644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)N3CCN(CC3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)N3CCN(CC3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C19H16BrN3O5S/c1-11-13-10-12(20)2-3-14(13)28-17(11)19(25)22-8-6-21(7-9-22)18(24)15-4-5-16(29-15)23(26)27/h2-5,10H,6-9H2,1H3