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

Systemtic Name: 1-[2-(2-hydroxyethyl)-1-methyl-4-(4-methylsulfanylbutanoyl)piperazin-2-yl]-3-phenethyl-urea Openeye Name: 1-[2-(2-hydroxyethyl)-1-methyl-4-(4-methylsulfanylbutanoyl)piperazin-2-yl]-3-phenethyl-urea CAS Name: 1-[2-(2-hydroxyethyl)-1-methyl-4-[4-(methylthio)-1-oxobutyl]-2-piperazinyl]-3-phenethylurea IUPAC Name: 1-[2-(2-hydroxyethyl)-1-methyl-4-(4-methylsulfanylbutanoyl)piperazin-2-yl]-3-phenethylurea Traditional Name: 1-[2-(2-hydroxyethyl)-1-methyl-4-[4-(methylthio)butanoyl]piperazin-2-yl]-3-phenethyl-urea Formula: C21H34N4O3S MolecularWeight: 422.58466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N4O3S/c1-24-13-14-25(19(27)9-6-16-29-2)17-21(24,11-15-26)23-20(28)22-12-10-18-7-4-3-5-8-18/h3-5,7-8,26H,6,9-17H2,1-2H3,(H2,22,23,28)