N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-N-(phenylmethyl)furan-2-carboxamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-N-(phenylmethyl)furan-2-carboxamide Openeye Name: N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-furan-2-carboxamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-N-(phenylmethyl)-2-furancarboxamide IUPAC Name: N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide Traditional Name: N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-2-furamide 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=CC=C3)C(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

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