3-fluoranyl-4-(4-methyl-1,4-diazepan-1-yl)benzenecarbothioamide

Systemtic Name: 3-fluoranyl-4-(4-methyl-1,4-diazepan-1-yl)benzenecarbothioamide Openeye Name: 3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)benzenecarbothioamide CAS Name: 3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)benzenecarbothioamide IUPAC Name: 3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)benzenecarbothioamide Traditional Name: 3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)thiobenzamide Formula: C13H18FN3S MolecularWeight: 267.365523

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=C(C=C(C=C2)C(=S)N)F

Isomeric SMILES

CN1CCCN(CC1)C2=C(C=C(C=C2)C(=S)N)F

InChI

InChI=1S/C13H18FN3S/c1-16-5-2-6-17(8-7-16)12-4-3-10(13(15)18)9-11(12)14/h3-4,9H,2,5-8H2,1H3,(H2,15,18)