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

Systemtic Name: 1-[[4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoyl]amino]-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-[[4-(4-acetylpiperazin-1-yl)-4-oxo-butanoyl]amino]-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[[4-(4-acetyl-1-piperazinyl)-1,4-dioxobutyl]amino]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-[[4-(4-acetylpiperazin-1-yl)-4-oxobutanoyl]amino]-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-[[4-(4-acetylpiperazino)-4-keto-butanoyl]amino]-3-(4-fluorobenzyl)thiourea Formula: C18H24FN5O3S MolecularWeight: 409.478263

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CCC(=O)NNC(=S)NCC2=CC=C(C=C2)F

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CCC(=O)NNC(=S)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C18H24FN5O3S/c1-13(25)23-8-10-24(11-9-23)17(27)7-6-16(26)21-22-18(28)20-12-14-2-4-15(19)5-3-14/h2-5H,6-12H2,1H3,(H,21,26)(H2,20,22,28)