1-butyl-3-[1-(3-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)propylamino]thiourea

Systemtic Name: 1-butyl-3-[1-(3-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)propylamino]thiourea Openeye Name: 1-butyl-3-[1-(3-fluoro-6-oxo-cyclohexa-2,4-dien-1-ylidene)propylamino]thiourea CAS Name: 1-butyl-3-[1-(3-fluoro-6-oxo-1-cyclohexa-2,4-dienylidene)propylamino]thiourea IUPAC Name: 1-butyl-3-[1-(3-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)propylamino]thiourea Traditional Name: 1-butyl-3-[1-(3-fluoro-6-keto-cyclohexa-2,4-dien-1-ylidene)propylamino]thiourea Formula: C14H20FN3OS MolecularWeight: 297.391503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC(=C1C=C(C=CC1=O)F)CC

Isomeric SMILES

CCCCNC(=S)NNC(=C1C=C(C=CC1=O)F)CC

InChI

InChI=1S/C14H20FN3OS/c1-3-5-8-16-14(20)18-17-12(4-2)11-9-10(15)6-7-13(11)19/h6-7,9,17H,3-5,8H2,1-2H3,(H2,16,18,20)