N-[[4-(2-diethylaminoethyloxy)-3-methoxy-phenyl]methyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[[4-(2-diethylaminoethyloxy)-3-methoxy-phenyl]methyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[[4-(2-diethylaminoethyloxy)-3-methoxy-phenyl]methyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[[4-(2-diethylaminoethyloxy)-3-methoxyphenyl]methyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[[4-(2-diethylaminoethyloxy)-3-methoxyphenyl]methyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[4-(2-diethylaminoethyloxy)-3-methoxy-benzyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=C(C=C(C=C1)CNC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCN(CC)CCOC1=C(C=C(C=C1)CNC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C23H31N3O5S/c1-5-25(6-2)13-14-31-21-12-7-18(15-22(21)30-4)16-24-23(27)17(3)32-20-10-8-19(9-11-20)26(28)29/h7-12,15,17H,5-6,13-14,16H2,1-4H3,(H,24,27)