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

Systemtic Name: 1-[[4-(4-ethoxyphenyl)-4-oxidanylidene-butanoyl]amino]-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-[[4-(4-ethoxyphenyl)-4-oxo-butanoyl]amino]-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[[4-(4-ethoxyphenyl)-1,4-dioxobutyl]amino]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-(4-fluorobenzyl)-3-[(4-keto-4-p-phenetyl-butanoyl)amino]thiourea Formula: C20H22FN3O3S MolecularWeight: 403.470383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CCC(=O)NNC(=S)NCC2=CC=C(C=C2)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CCC(=O)NNC(=S)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C20H22FN3O3S/c1-2-27-17-9-5-15(6-10-17)18(25)11-12-19(26)23-24-20(28)22-13-14-3-7-16(21)8-4-14/h3-10H,2,11-13H2,1H3,(H,23,26)(H2,22,24,28)