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

Systemtic Name: 1-[(3-chloranyl-5-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-[(3-chloro-5-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[(3-chloro-5-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-[(3-chloro-5-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-[(3-chloro-5-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(4-fluorobenzyl)thiourea Formula: C17H17ClFN3O2S MolecularWeight: 381.852183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CNNC(=S)NCC2=CC=C(C=C2)F)C=C(C1=O)Cl

Isomeric SMILES

CCOC1=CC(=CNNC(=S)NCC2=CC=C(C=C2)F)C=C(C1=O)Cl

InChI

InChI=1S/C17H17ClFN3O2S/c1-2-24-15-8-12(7-14(18)16(15)23)10-21-22-17(25)20-9-11-3-5-13(19)6-4-11/h3-8,10,21H,2,9H2,1H3,(H2,20,22,25)