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

Systemtic Name: 4-[2-[1-(3,4-dipropoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[1-(3,4-dipropoxyphenyl)ethylamino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[1-(3,4-dipropoxyphenyl)ethylamino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[1-(3,4-dipropoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[1-(3,4-dipropoxyphenyl)ethylamino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(C)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(C)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])OCCC

InChI

InChI=1S/C23H29N3O6S/c1-4-10-31-19-8-6-16(13-20(19)32-11-5-2)15(3)25-22(27)14-33-21-9-7-17(23(24)28)12-18(21)26(29)30/h6-9,12-13,15H,4-5,10-11,14H2,1-3H3,(H2,24,28)(H,25,27)