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

Systemtic Name: 1-[3-(2-bromoethyloxy)-4-chloranyl-1-oxidanylidene-isochromen-7-yl]-3-[(2,4-dimethylphenyl)methyl]thiourea Openeye Name: 1-[3-(2-bromoethoxy)-4-chloro-1-oxo-isochromen-7-yl]-3-[(2,4-dimethylphenyl)methyl]thiourea CAS Name: 1-[3-(2-bromoethoxy)-4-chloro-1-oxo-2-benzopyran-7-yl]-3-[(2,4-dimethylphenyl)methyl]thiourea IUPAC Name: 1-[3-(2-bromoethoxy)-4-chloro-1-oxoisochromen-7-yl]-3-[(2,4-dimethylphenyl)methyl]thiourea Traditional Name: 1-[3-(2-bromoethoxy)-4-chloro-1-keto-isochromen-7-yl]-3-(2,4-dimethylbenzyl)thiourea Formula: C21H20BrClN2O3S MolecularWeight: 495.8171

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CNC(=S)NC2=CC3=C(C=C2)C(=C(OC3=O)OCCBr)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)CNC(=S)NC2=CC3=C(C=C2)C(=C(OC3=O)OCCBr)Cl)C

InChI

InChI=1S/C21H20BrClN2O3S/c1-12-3-4-14(13(2)9-12)11-24-21(29)25-15-5-6-16-17(10-15)19(26)28-20(18(16)23)27-8-7-22/h3-6,9-10H,7-8,11H2,1-2H3,(H2,24,25,29)