[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(5-nitrofuran-2-yl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(5-nitrofuran-2-yl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(5-nitro-2-furyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-(5-nitro-2-furanyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(5-nitrofuran-2-yl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazino]-(5-nitro-2-furyl)methanone Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O4S/c22-17(13-5-6-16(25-13)21(23)24)20-9-7-19(8-10-20)11-15-18-12-3-1-2-4-14(12)26-15/h1-6H,7-11H2