1-[1-methyl-3-(2-methylsulfanylethyl)-4-propanoyl-piperazin-2-yl]-3-phenethyl-urea

Systemtic Name: 1-[1-methyl-3-(2-methylsulfanylethyl)-4-propanoyl-piperazin-2-yl]-3-phenethyl-urea Openeye Name: 1-[1-methyl-3-(2-methylsulfanylethyl)-4-propanoyl-piperazin-2-yl]-3-phenethyl-urea CAS Name: 1-[1-methyl-3-[2-(methylthio)ethyl]-4-(1-oxopropyl)-2-piperazinyl]-3-phenethylurea IUPAC Name: 1-[1-methyl-3-(2-methylsulfanylethyl)-4-propanoylpiperazin-2-yl]-3-phenethylurea Traditional Name: 1-[1-methyl-3-[2-(methylthio)ethyl]-4-propionyl-piperazin-2-yl]-3-phenethyl-urea Formula: C20H32N4O2S MolecularWeight: 392.55868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(C(C1CCSC)NC(=O)NCCC2=CC=CC=C2)C

Isomeric SMILES

CCC(=O)N1CCN(C(C1CCSC)NC(=O)NCCC2=CC=CC=C2)C

InChI

InChI=1S/C20H32N4O2S/c1-4-18(25)24-14-13-23(2)19(17(24)11-15-27-3)22-20(26)21-12-10-16-8-6-5-7-9-16/h5-9,17,19H,4,10-15H2,1-3H3,(H2,21,22,26)