1-[[6-bromanyl-2,2-dimethyl-4-(2-oxidanylidenepyridin-1-yl)chromen-3-yl]methyl]-1-oxidanyl-thiourea

Systemtic Name: 1-[[6-bromanyl-2,2-dimethyl-4-(2-oxidanylidenepyridin-1-yl)chromen-3-yl]methyl]-1-oxidanyl-thiourea Openeye Name: 1-[[6-bromo-2,2-dimethyl-4-(2-oxo-1-pyridyl)chromen-3-yl]methyl]-1-hydroxy-thiourea CAS Name: 1-[[6-bromo-2,2-dimethyl-4-(2-oxo-1-pyridinyl)-1-benzopyran-3-yl]methyl]-1-hydroxythiourea IUPAC Name: 1-[[6-bromo-2,2-dimethyl-4-(2-oxopyridin-1-yl)chromen-3-yl]methyl]-1-hydroxythiourea Traditional Name: 1-[[6-bromo-4-(2-keto-1-pyridyl)-2,2-dimethyl-chromen-3-yl]methyl]-1-hydroxy-thiourea Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C2=C(O1)C=CC(=C2)Br)N3C=CC=CC3=O)CN(C(=S)N)O)C

Isomeric SMILES

CC1(C(=C(C2=C(O1)C=CC(=C2)Br)N3C=CC=CC3=O)CN(C(=S)N)O)C

InChI

InChI=1S/C18H18BrN3O3S/c1-18(2)13(10-22(24)17(20)26)16(21-8-4-3-5-15(21)23)12-9-11(19)6-7-14(12)25-18/h3-9,24H,10H2,1-2H3,(H2,20,26)