S-[2-[[1-(2-diethylaminoethylamino)-3-(4-nitrophenyl)-1-oxidanylidene-propan-2-yl]carbamoyl-phenethyl-amino]ethyl] ethanethioate

Systemtic Name: S-[2-[[1-(2-diethylaminoethylamino)-3-(4-nitrophenyl)-1-oxidanylidene-propan-2-yl]carbamoyl-phenethyl-amino]ethyl] ethanethioate Openeye Name: S-[2-[[2-(2-diethylaminoethylamino)-1-[(4-nitrophenyl)methyl]-2-oxo-ethyl]carbamoyl-phenethyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[1-(2-diethylaminoethylamino)-3-(4-nitrophenyl)-1-oxopropan-2-yl]amino]-oxomethyl]-phenethylamino]ethyl] ester IUPAC Name: S-[2-[[1-(2-diethylaminoethylamino)-3-(4-nitrophenyl)-1-oxopropan-2-yl]carbamoyl-phenethylamino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[2-(2-diethylaminoethylamino)-2-keto-1-(4-nitrobenzyl)ethyl]carbamoyl-phenethyl-amino]ethyl] ester Formula: C28H39N5O5S MolecularWeight: 557.70476

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)N(CCC2=CC=CC=C2)CCSC(=O)C

Isomeric SMILES

CCN(CC)CCNC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)N(CCC2=CC=CC=C2)CCSC(=O)C

InChI

InChI=1S/C28H39N5O5S/c1-4-31(5-2)18-16-29-27(35)26(21-24-11-13-25(14-12-24)33(37)38)30-28(36)32(19-20-39-22(3)34)17-15-23-9-7-6-8-10-23/h6-14,26H,4-5,15-21H2,1-3H3,(H,29,35)(H,30,36)