N-(4-bromanyl-3-methyl-phenyl)-7,11-dioxa-3-azaspiro[5.5]undecane-3-carbothioamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-7,11-dioxa-3-azaspiro[5.5]undecane-3-carbothioamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-7,11-dioxa-3-azaspiro[5.5]undecane-3-carbothioamide CAS Name: N-(4-bromo-3-methylphenyl)-7,11-dioxa-3-azaspiro[5.5]undecane-3-carbothioamide IUPAC Name: N-(4-bromo-3-methylphenyl)-7,11-dioxa-3-azaspiro[5.5]undecane-3-carbothioamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-7,11-dioxa-3-azaspiro[5.5]undecane-3-carbothioamide Formula: C16H21BrN2O2S MolecularWeight: 385.31914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)N2CCC3(CC2)OCCCO3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)N2CCC3(CC2)OCCCO3)Br

InChI

InChI=1S/C16H21BrN2O2S/c1-12-11-13(3-4-14(12)17)18-15(22)19-7-5-16(6-8-19)20-9-2-10-21-16/h3-4,11H,2,5-10H2,1H3,(H,18,22)