1-[(3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-[(4-fluorophenyl)methyl]thiourea

Systemtic Name: 1-[(3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-[(3,5-dimethyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-[(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-(4-fluorobenzyl)-3-[(4-keto-3,5-dimethyl-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C17H18FN3OS MolecularWeight: 331.407723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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