S-[2-[2-(aminocarbonylamino)-4-methyl-3-(2-naphthalen-2-ylethyl)-1-propanoyl-piperazin-2-yl]ethyl] ethanethioate

Systemtic Name: S-[2-[2-(aminocarbonylamino)-4-methyl-3-(2-naphthalen-2-ylethyl)-1-propanoyl-piperazin-2-yl]ethyl] ethanethioate Openeye Name: S-[2-[4-methyl-3-[2-(2-naphthyl)ethyl]-1-propanoyl-2-ureido-piperazin-2-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[2-(carbamoylamino)-4-methyl-3-[2-(2-naphthalenyl)ethyl]-1-(1-oxopropyl)-2-piperazinyl]ethyl] ester IUPAC Name: S-[2-[2-(carbamoylamino)-4-methyl-3-(2-naphthalen-2-ylethyl)-1-propanoylpiperazin-2-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-methyl-3-[2-(2-naphthyl)ethyl]-1-propionyl-2-ureido-piperazin-2-yl]ethyl] ester Formula: C25H34N4O3S MolecularWeight: 470.62746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(C(C1(CCSC(=O)C)NC(=O)N)CCC2=CC3=CC=CC=C3C=C2)C

Isomeric SMILES

CCC(=O)N1CCN(C(C1(CCSC(=O)C)NC(=O)N)CCC2=CC3=CC=CC=C3C=C2)C

InChI

InChI=1S/C25H34N4O3S/c1-4-23(31)29-15-14-28(3)22(25(29,27-24(26)32)13-16-33-18(2)30)12-10-19-9-11-20-7-5-6-8-21(20)17-19/h5-9,11,17,22H,4,10,12-16H2,1-3H3,(H3,26,27,32)