S-[2-[4-methyl-1-(3-naphthalen-2-ylpropanoyl)-3-(phenethylcarbamoylamino)piperazin-2-yl]ethyl] ethanethioate

Systemtic Name: S-[2-[4-methyl-1-(3-naphthalen-2-ylpropanoyl)-3-(phenethylcarbamoylamino)piperazin-2-yl]ethyl] ethanethioate Openeye Name: S-[2-[4-methyl-1-[3-(2-naphthyl)propanoyl]-3-(phenethylcarbamoylamino)piperazin-2-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-methyl-1-[3-(2-naphthalenyl)-1-oxopropyl]-3-[[oxo-(phenethylamino)methyl]amino]-2-piperazinyl]ethyl] ester IUPAC Name: S-[2-[4-methyl-1-(3-naphthalen-2-ylpropanoyl)-3-(phenethylcarbamoylamino)piperazin-2-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-methyl-1-[3-(2-naphthyl)propanoyl]-3-(phenethylcarbamoylamino)piperazin-2-yl]ethyl] ester Formula: C31H38N4O3S MolecularWeight: 546.72342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC1C(N(CCN1C(=O)CCC2=CC3=CC=CC=C3C=C2)C)NC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC(=O)SCCC1C(N(CCN1C(=O)CCC2=CC3=CC=CC=C3C=C2)C)NC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C31H38N4O3S/c1-23(36)39-21-17-28-30(33-31(38)32-18-16-24-8-4-3-5-9-24)34(2)19-20-35(28)29(37)15-13-25-12-14-26-10-6-7-11-27(26)22-25/h3-12,14,22,28,30H,13,15-21H2,1-2H3,(H2,32,33,38)