N-(3-fluorophenyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(3-fluorophenyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carbothioamide Openeye Name: N-(3-fluorophenyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carbothioamide CAS Name: N-(3-fluorophenyl)-4-(2-pyrimidinyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(3-fluorophenyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carbothioamide Traditional Name: N-(3-fluorophenyl)-4-(2-pyrimidyl)-1,4-diazepane-1-carbothioamide Formula: C16H18FN5S MolecularWeight: 331.411023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=CC(=CC=C2)F)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CC(=CC=C2)F)C3=NC=CC=N3

InChI

InChI=1S/C16H18FN5S/c17-13-4-1-5-14(12-13)20-16(23)22-9-3-8-21(10-11-22)15-18-6-2-7-19-15/h1-2,4-7,12H,3,8-11H2,(H,20,23)