N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-[(4-methyl-2-nitro-phenoxy)methyl]furan-2-carboxamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-[(4-methyl-2-nitro-phenoxy)methyl]furan-2-carboxamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-[(4-methyl-2-nitro-phenoxy)methyl]furan-2-carboxamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-[(4-methyl-2-nitrophenoxy)methyl]-2-furancarboxamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-[(4-methyl-2-nitro-phenoxy)methyl]-2-furamide Formula: C27H21N3O5S MolecularWeight: 499.53774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=CC=C(C=C3)C4=NC5=C(S4)C=C(C=C5)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=CC=C(C=C3)C4=NC5=C(S4)C=C(C=C5)C)[N+](=O)[O-]

InChI

InChI=1S/C27H21N3O5S/c1-16-4-11-23(22(13-16)30(32)33)34-15-20-9-12-24(35-20)26(31)28-19-7-5-18(6-8-19)27-29-21-10-3-17(2)14-25(21)36-27/h3-14H,15H2,1-2H3,(H,28,31)