N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-nitro-benzamide

Systemtic Name: N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-nitro-benzamide Openeye Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-3-nitro-benzamide CAS Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-3-nitrobenzamide IUPAC Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-nitrobenzamide Traditional Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-furfuryl)-3-nitro-benzamide Formula: C20H14ClN3O4S MolecularWeight: 427.86086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=C(S2)N(CC3=CC=CO3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=CC2=C1N=C(S2)N(CC3=CC=CO3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H14ClN3O4S/c1-12-8-14(21)10-17-18(12)22-20(29-17)23(11-16-6-3-7-28-16)19(25)13-4-2-5-15(9-13)24(26)27/h2-10H,11H2,1H3