N-[1-(4-fluorophenyl)ethyl]-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[1-(4-fluorophenyl)ethyl]-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-[1-(4-fluorophenyl)ethyl]-4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-[1-(4-fluorophenyl)ethyl]-4-(2-thiazolylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-[1-(4-fluorophenyl)ethyl]-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-[1-(4-fluorophenyl)ethyl]-4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide Formula: C18H23FN4S2 MolecularWeight: 378.530423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NC(=S)N2CCCN(CC2)CC3=NC=CS3

Isomeric SMILES

CC(C1=CC=C(C=C1)F)NC(=S)N2CCCN(CC2)CC3=NC=CS3

InChI

InChI=1S/C18H23FN4S2/c1-14(15-3-5-16(19)6-4-15)21-18(24)23-9-2-8-22(10-11-23)13-17-20-7-12-25-17/h3-7,12,14H,2,8-11,13H2,1H3,(H,21,24)