1-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]urea

Systemtic Name: 1-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]urea Openeye Name: [(1S)-1-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-3-methylsulfanyl-propyl]urea CAS Name: [(2S)-1-[4-(3-methoxyphenyl)-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]urea IUPAC Name: [(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]urea Traditional Name: [(1S)-1-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-3-(methylthio)propyl]urea Formula: C17H26N4O3S MolecularWeight: 366.47834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C(CCSC)NC(=O)N

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)[C@H](CCSC)NC(=O)N

InChI

InChI=1S/C17H26N4O3S/c1-24-14-5-3-4-13(12-14)20-7-9-21(10-8-20)16(22)15(6-11-25-2)19-17(18)23/h3-5,12,15H,6-11H2,1-2H3,(H3,18,19,23)/t15-/m0/s1