N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,5-dinitro-benzamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,5-dinitro-benzamide Openeye Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-3,5-dinitro-benzamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-3,5-dinitrobenzamide IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,5-dinitrobenzamide Traditional Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furfuryl)-3,5-dinitro-benzamide Formula: C21H16N4O6S MolecularWeight: 452.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC3=CC=CO3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC3=CC=CO3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O6S/c1-12-5-6-13(2)19-18(12)22-21(32-19)23(11-17-4-3-7-31-17)20(26)14-8-15(24(27)28)10-16(9-14)25(29)30/h3-10H,11H2,1-2H3