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

Systemtic Name: N-[1-(4-fluorophenyl)ethyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-[1-(4-fluorophenyl)ethyl]-4-(3-thienylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-[1-(4-fluorophenyl)ethyl]-4-(3-thiophenylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-[1-(4-fluorophenyl)ethyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-[1-(4-fluorophenyl)ethyl]-4-(3-thenyl)-1,4-diazepane-1-carbothioamide Formula: C19H24FN3S2 MolecularWeight: 377.542363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24FN3S2/c1-15(17-3-5-18(20)6-4-17)21-19(24)23-9-2-8-22(10-11-23)13-16-7-12-25-14-16/h3-7,12,14-15H,2,8-11,13H2,1H3,(H,21,24)