1-[[4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoyl]amino]-3-(4-fluorophenyl)thiourea

Systemtic Name: 1-[[4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoyl]amino]-3-(4-fluorophenyl)thiourea Openeye Name: 1-[[4-(2,5-dimethylphenyl)-4-oxo-butanoyl]amino]-3-(4-fluorophenyl)thiourea CAS Name: 1-[[4-(2,5-dimethylphenyl)-1,4-dioxobutyl]amino]-3-(4-fluorophenyl)thiourea IUPAC Name: 1-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-3-(4-fluorophenyl)thiourea Traditional Name: 1-[[4-(2,5-dimethylphenyl)-4-keto-butanoyl]amino]-3-(4-fluorophenyl)thiourea Formula: C19H20FN3O2S MolecularWeight: 373.444403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NNC(=S)NC2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NNC(=S)NC2=CC=C(C=C2)F

InChI

InChI=1S/C19H20FN3O2S/c1-12-3-4-13(2)16(11-12)17(24)9-10-18(25)22-23-19(26)21-15-7-5-14(20)6-8-15/h3-8,11H,9-10H2,1-2H3,(H,22,25)(H2,21,23,26)