1-(2-hydroxyethyl)-3-[1-(4-methylpiperazin-1-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1-phenethyl-urea

Systemtic Name: 1-(2-hydroxyethyl)-3-[1-(4-methylpiperazin-1-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1-phenethyl-urea Openeye Name: 1-(2-hydroxyethyl)-3-[1-(4-methylpiperazine-1-carbonyl)-3-methylsulfanyl-propyl]-1-phenethyl-urea CAS Name: 1-(2-hydroxyethyl)-3-[1-(4-methyl-1-piperazinyl)-4-(methylthio)-1-oxobutan-2-yl]-1-phenethylurea IUPAC Name: 1-(2-hydroxyethyl)-3-[1-(4-methylpiperazin-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]-1-phenethylurea Traditional Name: 1-(2-hydroxyethyl)-3-[1-(4-methylpiperazine-1-carbonyl)-3-(methylthio)propyl]-1-phenethyl-urea Formula: C21H34N4O3S MolecularWeight: 422.58466

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C(CCSC)NC(=O)N(CCC2=CC=CC=C2)CCO

Isomeric SMILES

CN1CCN(CC1)C(=O)C(CCSC)NC(=O)N(CCC2=CC=CC=C2)CCO

InChI

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