(1S,5R)-N-[(E)-1-pyrimidin-4-ylethylideneamino]-3-azabicyclo[3.3.2]decane-3-carbothioamide

Systemtic Name: (1S,5R)-N-[(E)-1-pyrimidin-4-ylethylideneamino]-3-azabicyclo[3.3.2]decane-3-carbothioamide Openeye Name: (1S,5R)-N-[(E)-1-pyrimidin-4-ylethylideneamino]-3-azabicyclo[3.3.2]decane-3-carbothioamide CAS Name: (1S,5R)-N-[(E)-1-(4-pyrimidinyl)ethylideneamino]-3-azabicyclo[3.3.2]decane-3-carbothioamide IUPAC Name: (1S,5R)-N-[(E)-1-pyrimidin-4-ylethylideneamino]-3-azabicyclo[3.3.2]decane-3-carbothioamide Traditional Name: (1S,5R)-N-[(E)-1-(4-pyrimidyl)ethylideneamino]-3-azabicyclo[3.3.2]decane-3-carbothioamide Formula: C16H23N5S MolecularWeight: 317.45232

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N1CC2CCCC(C1)CC2)C3=NC=NC=C3

Isomeric SMILES

C/C(=N\NC(=S)N1C[C@@H]2CCC[C@H](C1)CC2)/C3=NC=NC=C3

InChI

InChI=1S/C16H23N5S/c1-12(15-7-8-17-11-18-15)19-20-16(22)21-9-13-3-2-4-14(10-21)6-5-13/h7-8,11,13-14H,2-6,9-10H2,1H3,(H,20,22)/b19-12+/t13-,14+