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

Systemtic Name: N-[2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylamino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methylamino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]methylamino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylamino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methylamino]-2-keto-ethyl]-3-nitro-benzamide Formula: C21H16N4O5S MolecularWeight: 436.44054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O5S/c26-19(12-23-20(27)13-4-3-5-14(10-13)25(28)29)22-11-15-8-9-17(30-15)21-24-16-6-1-2-7-18(16)31-21/h1-10H,11-12H2,(H,22,26)(H,23,27)