N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-nitro-benzamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-nitro-benzamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-3-nitro-benzamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]methyl]-3-nitrobenzamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-nitrobenzamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-3-nitro-benzamide Formula: C19H13N3O4S MolecularWeight: 379.38922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(O3)CNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(O3)CNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H13N3O4S/c23-18(12-4-3-5-13(10-12)22(24)25)20-11-14-8-9-16(26-14)19-21-15-6-1-2-7-17(15)27-19/h1-10H,11H2,(H,20,23)