4-[2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-[[2-methyl-1-(4-propylphenyl)propyl]amino]ethyl]thio]-3-nitro-benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C(C)C)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC=C(C=C1)C(C(C)C)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O4S/c1-4-5-15-6-8-16(9-7-15)21(14(2)3)24-20(26)13-30-19-11-10-17(22(23)27)12-18(19)25(28)29/h6-12,14,21H,4-5,13H2,1-3H3,(H2,23,27)(H,24,26)