4-[2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[1-(4-isobutylphenyl)ethylamino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[1-(4-isobutylphenyl)ethylamino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4S/c1-13(2)10-15-4-6-16(7-5-15)14(3)23-20(25)12-29-19-9-8-17(21(22)26)11-18(19)24(27)28/h4-9,11,13-14H,10,12H2,1-3H3,(H2,22,26)(H,23,25)