1-[2-(2-hydroxyethyl)-1-methyl-4-(3-methylsulfanylpropanoyl)piperazin-2-yl]-3-phenethyl-urea

Systemtic Name: 1-[2-(2-hydroxyethyl)-1-methyl-4-(3-methylsulfanylpropanoyl)piperazin-2-yl]-3-phenethyl-urea Openeye Name: 1-[2-(2-hydroxyethyl)-1-methyl-4-(3-methylsulfanylpropanoyl)piperazin-2-yl]-3-phenethyl-urea CAS Name: 1-[2-(2-hydroxyethyl)-1-methyl-4-[3-(methylthio)-1-oxopropyl]-2-piperazinyl]-3-phenethylurea IUPAC Name: 1-[2-(2-hydroxyethyl)-1-methyl-4-(3-methylsulfanylpropanoyl)piperazin-2-yl]-3-phenethylurea Traditional Name: 1-[2-(2-hydroxyethyl)-1-methyl-4-[3-(methylthio)propanoyl]piperazin-2-yl]-3-phenethyl-urea Formula: C20H32N4O3S MolecularWeight: 408.55808

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1(CCO)NC(=O)NCCC2=CC=CC=C2)C(=O)CCSC

Isomeric SMILES

CN1CCN(CC1(CCO)NC(=O)NCCC2=CC=CC=C2)C(=O)CCSC

InChI

InChI=1S/C20H32N4O3S/c1-23-12-13-24(18(26)9-15-28-2)16-20(23,10-14-25)22-19(27)21-11-8-17-6-4-3-5-7-17/h3-7,25H,8-16H2,1-2H3,(H2,21,22,27)