4-[2-[2-(2-methylpropanoylamino)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[2-(2-methylpropanoylamino)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[2-(2-methylpropanoylamino)ethylamino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[2-[(2-methyl-1-oxopropyl)amino]ethylamino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[2-(2-methylpropanoylamino)ethylamino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[2-(isobutyrylamino)ethylamino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C15H20N4O5S MolecularWeight: 368.4081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O5S/c1-9(2)15(22)18-6-5-17-13(20)8-25-12-4-3-10(14(16)21)7-11(12)19(23)24/h3-4,7,9H,5-6,8H2,1-2H3,(H2,16,21)(H,17,20)(H,18,22)