6-[[bis[(5-nitrofuran-2-yl)methyl]amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide

Systemtic Name: 6-[[bis[(5-nitrofuran-2-yl)methyl]amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Openeye Name: 6-[[bis[(5-nitro-2-furyl)methyl]amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide CAS Name: 6-[[bis[(5-nitro-2-furanyl)methyl]amino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: 6-[[bis[(5-nitrofuran-2-yl)methyl]amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: 6-[[bis[(5-nitro-2-furyl)methyl]amino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide Formula: C26H21N5O7S MolecularWeight: 547.53924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)CN(CC4=CC=C(O4)[N+](=O)[O-])CC5=CC=C(O5)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)CN(CC4=CC=C(O4)[N+](=O)[O-])CC5=CC=C(O5)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C26H21N5O7S/c27-26(32)24-25(39-19-4-2-1-3-5-19)20-9-6-16(12-21(20)28-24)13-29(14-17-7-10-22(37-17)30(33)34)15-18-8-11-23(38-18)31(35)36/h1-12,28H,13-15H2,(H2,27,32)