3-methyl-N-[1-(3-methylbutanoyl)-5-nitro-2,1-benzothiazol-3-ylidene]butanamide

Systemtic Name: 3-methyl-N-[1-(3-methylbutanoyl)-5-nitro-2,1-benzothiazol-3-ylidene]butanamide Openeye Name: 3-methyl-N-[1-(3-methylbutanoyl)-5-nitro-2,1-benzothiazol-3-ylidene]butanamide CAS Name: 3-methyl-N-[1-(3-methyl-1-oxobutyl)-5-nitro-2,1-benzothiazol-3-ylidene]butanamide IUPAC Name: 3-methyl-N-[1-(3-methylbutanoyl)-5-nitro-2,1-benzothiazol-3-ylidene]butanamide Traditional Name: N-(1-isovaleryl-5-nitro-2,1-benzothiazol-3-ylidene)-3-methyl-butyramide Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N=C1C2=C(C=CC(=C2)[N+](=O)[O-])N(S1)C(=O)CC(C)C

Isomeric SMILES

CC(C)CC(=O)N=C1C2=C(C=CC(=C2)[N+](=O)[O-])N(S1)C(=O)CC(C)C

InChI

InChI=1S/C17H21N3O4S/c1-10(2)7-15(21)18-17-13-9-12(20(23)24)5-6-14(13)19(25-17)16(22)8-11(3)4/h5-6,9-11H,7-8H2,1-4H3