1-[3-(2-bromoethyloxy)-4-chloranyl-1-oxidanylidene-isochromen-7-yl]-3-[(4-fluorophenyl)methyl]thiourea

Systemtic Name: 1-[3-(2-bromoethyloxy)-4-chloranyl-1-oxidanylidene-isochromen-7-yl]-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-[3-(2-bromoethoxy)-4-chloro-1-oxo-isochromen-7-yl]-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[3-(2-bromoethoxy)-4-chloro-1-oxo-2-benzopyran-7-yl]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-[3-(2-bromoethoxy)-4-chloro-1-oxoisochromen-7-yl]-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-[3-(2-bromoethoxy)-4-chloro-1-keto-isochromen-7-yl]-3-(4-fluorobenzyl)thiourea Formula: C19H15BrClFN2O3S MolecularWeight: 485.754403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)NC2=CC3=C(C=C2)C(=C(OC3=O)OCCBr)Cl)F

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)NC2=CC3=C(C=C2)C(=C(OC3=O)OCCBr)Cl)F

InChI

InChI=1S/C19H15BrClFN2O3S/c20-7-8-26-18-16(21)14-6-5-13(9-15(14)17(25)27-18)24-19(28)23-10-11-1-3-12(22)4-2-11/h1-6,9H,7-8,10H2,(H2,23,24,28)