N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(4-nitrophenyl)piperazine-1-carboxamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(4-nitrophenyl)piperazine-1-carboxamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-4-(4-nitrophenyl)piperazine-1-carboxamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]methyl]-4-(4-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(4-nitrophenyl)piperazine-1-carboxamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-4-(4-nitrophenyl)piperazine-1-carboxamide Formula: C23H21N5O4S MolecularWeight: 463.50894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=C(O3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=C(O3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H21N5O4S/c29-23(27-13-11-26(12-14-27)16-5-7-17(8-6-16)28(30)31)24-15-18-9-10-20(32-18)22-25-19-3-1-2-4-21(19)33-22/h1-10H,11-15H2,(H,24,29)