N-(3-cyanophenyl)-7,11-dioxa-3-azaspiro[5.5]undecane-3-carbothioamide

Systemtic Name: N-(3-cyanophenyl)-7,11-dioxa-3-azaspiro[5.5]undecane-3-carbothioamide Openeye Name: N-(3-cyanophenyl)-7,11-dioxa-3-azaspiro[5.5]undecane-3-carbothioamide CAS Name: N-(3-cyanophenyl)-7,11-dioxa-3-azaspiro[5.5]undecane-3-carbothioamide IUPAC Name: N-(3-cyanophenyl)-7,11-dioxa-3-azaspiro[5.5]undecane-3-carbothioamide Traditional Name: N-(3-cyanophenyl)-7,11-dioxa-3-azaspiro[5.5]undecane-3-carbothioamide Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2(CCN(CC2)C(=S)NC3=CC=CC(=C3)C#N)OC1

Isomeric SMILES

C1COC2(CCN(CC2)C(=S)NC3=CC=CC(=C3)C#N)OC1

InChI

InChI=1S/C16H19N3O2S/c17-12-13-3-1-4-14(11-13)18-15(22)19-7-5-16(6-8-19)20-9-2-10-21-16/h1,3-4,11H,2,5-10H2,(H,18,22)