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

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-nitro-benzamide Openeye Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-4-nitro-benzamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-4-nitrobenzamide IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-nitrobenzamide Traditional Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furfuryl)-4-nitro-benzamide Formula: C21H17N3O4S MolecularWeight: 407.44238

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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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O4S/c1-13-5-6-14(2)19-18(13)22-21(29-19)23(12-17-4-3-11-28-17)20(25)15-7-9-16(10-8-15)24(26)27/h3-11H,12H2,1-2H3