N-[4-[3-(2-diethylaminoethylsulfanyl)-3-(4-dimethylaminophenyl)propanoyl]phenyl]ethanamide

Systemtic Name: N-[4-[3-(2-diethylaminoethylsulfanyl)-3-(4-dimethylaminophenyl)propanoyl]phenyl]ethanamide Openeye Name: N-[4-[3-(2-diethylaminoethylsulfanyl)-3-(4-dimethylaminophenyl)propanoyl]phenyl]acetamide CAS Name: N-[4-[3-(2-diethylaminoethylthio)-3-(4-dimethylaminophenyl)-1-oxopropyl]phenyl]acetamide IUPAC Name: N-[4-[3-(2-diethylaminoethylsulfanyl)-3-(4-dimethylaminophenyl)propanoyl]phenyl]acetamide Traditional Name: N-[4-[3-(2-diethylaminoethylthio)-3-(4-dimethylaminophenyl)propanoyl]phenyl]acetamide Formula: C25H35N3O2S MolecularWeight: 441.6293

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC(CC(=O)C1=CC=C(C=C1)NC(=O)C)C2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCN(CC)CCSC(CC(=O)C1=CC=C(C=C1)NC(=O)C)C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C25H35N3O2S/c1-6-28(7-2)16-17-31-25(21-10-14-23(15-11-21)27(4)5)18-24(30)20-8-12-22(13-9-20)26-19(3)29/h8-15,25H,6-7,16-18H2,1-5H3,(H,26,29)