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

Systemtic Name: 1-[1-(3-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)propylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[1-(3-fluoro-6-oxo-cyclohexa-2,4-dien-1-ylidene)propylamino]thiourea CAS Name: 1-[1-(3-fluoro-6-oxo-1-cyclohexa-2,4-dienylidene)propylamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[1-(3-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)propylamino]thiourea Traditional Name: 1-benzyl-3-[1-(3-fluoro-6-keto-cyclohexa-2,4-dien-1-ylidene)propylamino]thiourea Formula: C17H18FN3OS MolecularWeight: 331.407723

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C=C(C=CC1=O)F)NNC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CCC(=C1C=C(C=CC1=O)F)NNC(=S)NCC2=CC=CC=C2

InChI

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