4-[2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(1,2-dimethylpropylamino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(1,2-dimethylpropylamino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C14H19N3O4S MolecularWeight: 325.38336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)CSC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C)NC(=O)CSC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O4S/c1-8(2)9(3)16-13(18)7-22-12-5-4-10(14(15)19)6-11(12)17(20)21/h4-6,8-9H,7H2,1-3H3,(H2,15,19)(H,16,18)