1-[(2R)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]urea

Systemtic Name: 1-[(2R)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]urea Openeye Name: [(1R)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1-carbonyl]-3-methylsulfanyl-propyl]urea CAS Name: [(2R)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]urea IUPAC Name: [(2R)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]urea Traditional Name: [(1R)-1-[4-(coumaran-5-ylmethyl)piperazine-1-carbonyl]-3-(methylthio)propyl]urea Formula: C19H28N4O3S MolecularWeight: 392.51562

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCC3)NC(=O)N

Isomeric SMILES

CSCC[C@H](C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCC3)NC(=O)N

InChI

InChI=1S/C19H28N4O3S/c1-27-11-5-16(21-19(20)25)18(24)23-8-6-22(7-9-23)13-14-2-3-17-15(12-14)4-10-26-17/h2-3,12,16H,4-11,13H2,1H3,(H3,20,21,25)/t16-/m1/s1