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

Systemtic Name: N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Openeye Name: N-(2-furylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide CAS Name: N-(2-furanylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide IUPAC Name: N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide Traditional Name: N-(2-furfuryl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Formula: C21H16N4O7S MolecularWeight: 468.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CC3=CC=CO3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CC3=CC=CO3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O7S/c1-12-5-6-17(31-2)18-19(12)33-21(22-18)23(11-16-4-3-7-32-16)20(26)13-8-14(24(27)28)10-15(9-13)25(29)30/h3-10H,11H2,1-2H3