N-[1-(4-fluorophenyl)ethyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[1-(4-fluorophenyl)ethyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-[1-(4-fluorophenyl)ethyl]-4-(3-pyridylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-[1-(4-fluorophenyl)ethyl]-4-(3-pyridinylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-[1-(4-fluorophenyl)ethyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-[1-(4-fluorophenyl)ethyl]-4-(3-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=CN=CC=C3

Isomeric SMILES

CC(C1=CC=C(C=C1)F)NC(=S)N2CCCN(CC2)CC3=CN=CC=C3

InChI

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