1-[2-(3-methoxyphenyl)ethyl]-3-[2-oxidanylidene-4-(trifluoromethyl)chromen-6-yl]thiourea

Systemtic Name: 1-[2-(3-methoxyphenyl)ethyl]-3-[2-oxidanylidene-4-(trifluoromethyl)chromen-6-yl]thiourea Openeye Name: 1-[2-(3-methoxyphenyl)ethyl]-3-[2-oxo-4-(trifluoromethyl)chromen-6-yl]thiourea CAS Name: 1-[2-(3-methoxyphenyl)ethyl]-3-[2-oxo-4-(trifluoromethyl)-1-benzopyran-6-yl]thiourea IUPAC Name: 1-[2-(3-methoxyphenyl)ethyl]-3-[2-oxo-4-(trifluoromethyl)chromen-6-yl]thiourea Traditional Name: 1-[2-keto-4-(trifluoromethyl)chromen-6-yl]-3-[2-(3-methoxyphenyl)ethyl]thiourea Formula: C20H17F3N2O3S MolecularWeight: 422.42079

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCNC(=S)NC2=CC3=C(C=C2)OC(=O)C=C3C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)CCNC(=S)NC2=CC3=C(C=C2)OC(=O)C=C3C(F)(F)F

InChI

InChI=1S/C20H17F3N2O3S/c1-27-14-4-2-3-12(9-14)7-8-24-19(29)25-13-5-6-17-15(10-13)16(20(21,22)23)11-18(26)28-17/h2-6,9-11H,7-8H2,1H3,(H2,24,25,29)