1-[(4-fluorophenyl)methyl]-3-[1-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-[1-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-[1-(3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-3-[1-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)ethylamino]thiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-[1-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea Traditional Name: 1-(4-fluorobenzyl)-3-[1-(6-keto-3-methyl-cyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea Formula: C17H18FN3OS MolecularWeight: 331.407723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C)NNC(=S)NCC2=CC=C(C=C2)F)C(=O)C=C1

Isomeric SMILES

CC1=CC(=C(C)NNC(=S)NCC2=CC=C(C=C2)F)C(=O)C=C1

InChI

InChI=1S/C17H18FN3OS/c1-11-3-8-16(22)15(9-11)12(2)20-21-17(23)19-10-13-4-6-14(18)7-5-13/h3-9,20H,10H2,1-2H3,(H2,19,21,23)