4-[2-[1-(3,4-diethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[1-(3,4-diethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[1-(3,4-diethoxyphenyl)ethylamino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[1-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[1-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[1-(3,4-diethoxyphenyl)ethylamino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])OCC

InChI

InChI=1S/C21H25N3O6S/c1-4-29-17-8-6-14(11-18(17)30-5-2)13(3)23-20(25)12-31-19-9-7-15(21(22)26)10-16(19)24(27)28/h6-11,13H,4-5,12H2,1-3H3,(H2,22,26)(H,23,25)