N-(furan-2-ylmethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide

Systemtic Name: N-(furan-2-ylmethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide Openeye Name: N-(2-furylmethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide CAS Name: N-(2-furanylmethyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-3-nitrobenzamide IUPAC Name: N-(furan-2-ylmethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide Traditional Name: N-(2-furfuryl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-3-nitro-benzamide Formula: C20H15N3O4S2 MolecularWeight: 425.4808

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CO3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CO3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O4S2/c1-28-16-7-8-17-18(11-16)29-20(21-17)22(12-15-6-3-9-27-15)19(24)13-4-2-5-14(10-13)23(25)26/h2-11H,12H2,1H3