4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-[4-(4-fluorophenyl)thiazol-2-yl]-N-(3-methoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-[4-(4-fluorophenyl)-2-thiazolyl]-N-(3-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-[4-(4-fluorophenyl)thiazol-2-yl]-N-(3-methoxyphenyl)piperazine-1-carbothioamide Formula: C21H21FN4OS2 MolecularWeight: 428.546043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N2CCN(CC2)C3=NC(=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N2CCN(CC2)C3=NC(=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN4OS2/c1-27-18-4-2-3-17(13-18)23-20(28)25-9-11-26(12-10-25)21-24-19(14-29-21)15-5-7-16(22)8-6-15/h2-8,13-14H,9-12H2,1H3,(H,23,28)