N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-5-nitro-furan-2-carboxamide

Systemtic Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-5-nitro-furan-2-carboxamide Openeye Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-5-nitro-furan-2-carboxamide CAS Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-5-nitro-2-furancarboxamide IUPAC Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-5-nitrofuran-2-carboxamide Traditional Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-5-nitro-2-furamide Formula: C17H17N3O4S MolecularWeight: 359.39958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(O3)[N+](=O)[O-])S2)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(O3)[N+](=O)[O-])S2)C

InChI

InChI=1S/C17H17N3O4S/c1-3-4-5-11-6-7-12-14(10-11)25-17(19(12)2)18-16(21)13-8-9-15(24-13)20(22)23/h6-10H,3-5H2,1-2H3