N-[1-(4-fluorophenyl)ethyl]-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[1-(4-fluorophenyl)ethyl]-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-[1-(4-fluorophenyl)ethyl]-4-(2-pyridylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-[1-(4-fluorophenyl)ethyl]-4-(2-pyridinylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-[1-(4-fluorophenyl)ethyl]-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-[1-(4-fluorophenyl)ethyl]-4-(2-pyridylmethyl)-1,4-diazepane-1-carbothioamide Formula: C20H25FN4S MolecularWeight: 372.502703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NC(=S)N2CCCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

CC(C1=CC=C(C=C1)F)NC(=S)N2CCCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C20H25FN4S/c1-16(17-6-8-18(21)9-7-17)23-20(26)25-12-4-11-24(13-14-25)15-19-5-2-3-10-22-19/h2-3,5-10,16H,4,11-15H2,1H3,(H,23,26)