4-[2-[[4-(3-methylbutanoylamino)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[4-(3-methylbutanoylamino)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[4-(3-methylbutanoylamino)anilino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[4-[(3-methyl-1-oxobutyl)amino]anilino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[4-(3-methylbutanoylamino)anilino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[4-(isovalerylamino)anilino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5S/c1-12(2)9-18(25)22-14-4-6-15(7-5-14)23-19(26)11-30-17-8-3-13(20(21)27)10-16(17)24(28)29/h3-8,10,12H,9,11H2,1-2H3,(H2,21,27)(H,22,25)(H,23,26)