1-[[4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoyl]amino]-3-(4-fluorophenyl)thiourea

Systemtic Name: 1-[[4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoyl]amino]-3-(4-fluorophenyl)thiourea Openeye Name: 1-[[4-(4-acetylpiperazin-1-yl)-4-oxo-butanoyl]amino]-3-(4-fluorophenyl)thiourea CAS Name: 1-[[4-(4-acetyl-1-piperazinyl)-1,4-dioxobutyl]amino]-3-(4-fluorophenyl)thiourea IUPAC Name: 1-[[4-(4-acetylpiperazin-1-yl)-4-oxobutanoyl]amino]-3-(4-fluorophenyl)thiourea Traditional Name: 1-[[4-(4-acetylpiperazino)-4-keto-butanoyl]amino]-3-(4-fluorophenyl)thiourea Formula: C17H22FN5O3S MolecularWeight: 395.451683

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CCC(=O)NNC(=S)NC2=CC=C(C=C2)F

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CCC(=O)NNC(=S)NC2=CC=C(C=C2)F

InChI

InChI=1S/C17H22FN5O3S/c1-12(24)22-8-10-23(11-9-22)16(26)7-6-15(25)20-21-17(27)19-14-4-2-13(18)3-5-14/h2-5H,6-11H2,1H3,(H,20,25)(H2,19,21,27)