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

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-nitro-benzamide Openeye Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-4-nitro-benzamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-4-nitrobenzamide IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-nitrobenzamide Traditional Name: N-(6-ethyl-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:

CCC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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