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

Systemtic Name: N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,5-dinitro-benzamide Openeye Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-3,5-dinitro-benzamide CAS Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-3,5-dinitrobenzamide IUPAC Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,5-dinitrobenzamide Traditional Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-furfuryl)-3,5-dinitro-benzamide Formula: C20H13ClN4O6S MolecularWeight: 472.85842

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H13ClN4O6S/c1-11-4-5-16(21)18-17(11)22-20(32-18)23(10-15-3-2-6-31-15)19(26)12-7-13(24(27)28)9-14(8-12)25(29)30/h2-9H,10H2,1H3